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Azoles

Organic compounds that consist of five-membered heterocyclic molecules containing a nitrogen atom and at least one other non-carbon atom as part of the ring.
Thiazoles (217)
Imidazoles (136)
Pyrazoles (98)
Isoxazoles (93)
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Oxadiazoles (21)
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1

4-Methyl-1H-imidazole-5-carbaldehyde, 97%, Thermo Scientific™

CAS: 68282-53-1 Molecular Formula: C5H6N2O Molecular Weight (g/mol): 110.12 MDL Number: MFCD00173728 InChI Key: KMWCSNCNHSEXIF-UHFFFAOYSA-N Synonym: 4-methyl-1h-imidazole-5-carbaldehyde,5-methylimidazole-4-carboxaldehyde,4-methylimidazole-5-carboxaldehyde,4-methyl-5-imidazolecarboxaldehyde,5-methyl-3h-imidazole-4-carbaldehyde,4-methylimidazole-5-carbaldehyde,1h-imidazole-4-carboxaldehyde, 5-methyl,1h-imidazole-5-carboxaldehyde, 4-methyl,pubchem23016,acmc-1b6zs PubChem CID: 2795887 IUPAC Name: 5-methyl-1H-imidazole-4-carbaldehyde SMILES: CC1=C(C=O)N=CN1

PubChem CID 2795887
CAS 68282-53-1
Molecular Weight (g/mol) 110.12
MDL Number MFCD00173728
SMILES CC1=C(C=O)N=CN1
Synonym 4-methyl-1h-imidazole-5-carbaldehyde,5-methylimidazole-4-carboxaldehyde,4-methylimidazole-5-carboxaldehyde,4-methyl-5-imidazolecarboxaldehyde,5-methyl-3h-imidazole-4-carbaldehyde,4-methylimidazole-5-carbaldehyde,1h-imidazole-4-carboxaldehyde, 5-methyl,1h-imidazole-5-carboxaldehyde, 4-methyl,pubchem23016,acmc-1b6zs
IUPAC Name 5-methyl-1H-imidazole-4-carbaldehyde
InChI Key KMWCSNCNHSEXIF-UHFFFAOYSA-N
Molecular Formula C5H6N2O
2

4-(Bromomethyl)-5-methyl-3-phenylisoxazole, 97%, Thermo Scientific™

CAS: 180597-83-5 Molecular Formula: C11H10BrNO Molecular Weight (g/mol): 252.11 MDL Number: MFCD02677680 InChI Key: UICMWXWMCOJBIQ-UHFFFAOYSA-N PubChem CID: 2776147 IUPAC Name: 4-(bromomethyl)-5-methyl-3-phenyl-1,2-oxazole SMILES: CC1=C(CBr)C(=NO1)C1=CC=CC=C1

PubChem CID 2776147
CAS 180597-83-5
Molecular Weight (g/mol) 252.11
MDL Number MFCD02677680
SMILES CC1=C(CBr)C(=NO1)C1=CC=CC=C1
IUPAC Name 4-(bromomethyl)-5-methyl-3-phenyl-1,2-oxazole
InChI Key UICMWXWMCOJBIQ-UHFFFAOYSA-N
Molecular Formula C11H10BrNO
3

1-Methyl-1H-benzimidazole-5-carboxylic acid, 97%, Thermo Scientific™

CAS: 53484-17-6 Molecular Formula: C9H8N2O2 Molecular Weight (g/mol): 176.175 MDL Number: MFCD06809665 InChI Key: KAJLCBKTWRUQOI-UHFFFAOYSA-N Synonym: 1-methyl-1h-benzimidazole-5-carboxylic acid,1-methyl-1h-benzo d imidazole-5-carboxylic acid,1h-benzimidazole-5-carboxylic acid, 1-methyl,1-methyl-1h-1,3-benzodiazole-5-carboxylic acid,1-methyl-1,3-benzodiazole-5-carboxylic acid,1h-benzimidazole-5-carboxylicacid, 1-methyl,1-methyl-5-benzimidazolecarboxylic acid,1-methyl-1h-benzimidazole-5-carboxylicacid,1-methylbenzimidazol-5-carboxylic acid,1-methylbenzimidazole-5-carboxylicacid PubChem CID: 4913063 IUPAC Name: 1-methylbenzimidazole-5-carboxylic acid SMILES: CN1C=NC2=C1C=CC(=C2)C(=O)O

PubChem CID 4913063
CAS 53484-17-6
Molecular Weight (g/mol) 176.175
MDL Number MFCD06809665
SMILES CN1C=NC2=C1C=CC(=C2)C(=O)O
Synonym 1-methyl-1h-benzimidazole-5-carboxylic acid,1-methyl-1h-benzo d imidazole-5-carboxylic acid,1h-benzimidazole-5-carboxylic acid, 1-methyl,1-methyl-1h-1,3-benzodiazole-5-carboxylic acid,1-methyl-1,3-benzodiazole-5-carboxylic acid,1h-benzimidazole-5-carboxylicacid, 1-methyl,1-methyl-5-benzimidazolecarboxylic acid,1-methyl-1h-benzimidazole-5-carboxylicacid,1-methylbenzimidazol-5-carboxylic acid,1-methylbenzimidazole-5-carboxylicacid
IUPAC Name 1-methylbenzimidazole-5-carboxylic acid
InChI Key KAJLCBKTWRUQOI-UHFFFAOYSA-N
Molecular Formula C9H8N2O2
4

4-(1H-Pyrazol-1-ylmethyl)benzoic acid, ≥97%, Thermo Scientific™

CAS: 160388-53-4 Molecular Formula: C11H10N2O2 Molecular Weight (g/mol): 202.213 MDL Number: MFCD07186451 InChI Key: ZHQQRHUITAFMTC-UHFFFAOYSA-N PubChem CID: 6484268 IUPAC Name: 4-(pyrazol-1-ylmethyl)benzoic acid SMILES: C1=CN(N=C1)CC2=CC=C(C=C2)C(=O)O

PubChem CID 6484268
CAS 160388-53-4
Molecular Weight (g/mol) 202.213
MDL Number MFCD07186451
SMILES C1=CN(N=C1)CC2=CC=C(C=C2)C(=O)O
IUPAC Name 4-(pyrazol-1-ylmethyl)benzoic acid
InChI Key ZHQQRHUITAFMTC-UHFFFAOYSA-N
Molecular Formula C11H10N2O2
6

3-(4,5-Diphenyl-1,3-oxazol-2-yl)propanoic acid, 97%, Thermo Scientific™

CAS: 21256-18-8 Molecular Formula: C18H15NO3 Molecular Weight (g/mol): 293.32 MDL Number: MFCD00215977 InChI Key: OFPXSFXSNFPTHF-UHFFFAOYSA-N Synonym: oxaprozin,daypro,alvo,3-4,5-diphenyl-1,3-oxazol-2-yl propanoic acid,oxaprozine,3-4,5-diphenyloxazol-2-yl propanoic acid,deflam,oxaprozina,oxaprozinum,voir PubChem CID: 4614 ChEBI: CHEBI:7822 IUPAC Name: 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid SMILES: OC(=O)CCC1=NC(=C(O1)C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 4614
CAS 21256-18-8
Molecular Weight (g/mol) 293.32
ChEBI CHEBI:7822
MDL Number MFCD00215977
SMILES OC(=O)CCC1=NC(=C(O1)C1=CC=CC=C1)C1=CC=CC=C1
Synonym oxaprozin,daypro,alvo,3-4,5-diphenyl-1,3-oxazol-2-yl propanoic acid,oxaprozine,3-4,5-diphenyloxazol-2-yl propanoic acid,deflam,oxaprozina,oxaprozinum,voir
IUPAC Name 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid
InChI Key OFPXSFXSNFPTHF-UHFFFAOYSA-N
Molecular Formula C18H15NO3
7

(2-Methyl-4-phenyl-1,3-thiazol-5-yl)methanol, 97%, Thermo Scientific™

CAS: 857284-12-9 Molecular Formula: C11H11NOS Molecular Weight (g/mol): 205.275 MDL Number: MFCD08690247 InChI Key: RBRYERMYEBFVAB-UHFFFAOYSA-N Synonym: 2-methyl-4-phenyl-1,3-thiazol-5-yl methanol,5-thiazolemethanol,2-methyl-4-phenyl,2-methyl-4-phenylthiazol-5-yl methanol,2-methyl-4-phenyl-1,3-thiazol-5-yl methan-1-ol PubChem CID: 18525756 IUPAC Name: (2-methyl-4-phenyl-1,3-thiazol-5-yl)methanol SMILES: CC1=NC(=C(S1)CO)C2=CC=CC=C2

PubChem CID 18525756
CAS 857284-12-9
Molecular Weight (g/mol) 205.275
MDL Number MFCD08690247
SMILES CC1=NC(=C(S1)CO)C2=CC=CC=C2
Synonym 2-methyl-4-phenyl-1,3-thiazol-5-yl methanol,5-thiazolemethanol,2-methyl-4-phenyl,2-methyl-4-phenylthiazol-5-yl methanol,2-methyl-4-phenyl-1,3-thiazol-5-yl methan-1-ol
IUPAC Name (2-methyl-4-phenyl-1,3-thiazol-5-yl)methanol
InChI Key RBRYERMYEBFVAB-UHFFFAOYSA-N
Molecular Formula C11H11NOS
8

5-(Chloromethyl)-1-methyl-3-thien-2-yl-1H-pyrazole, ≥97%, Thermo Scientific™

CAS: 876316-96-0 Molecular Formula: C9H9ClN2S Molecular Weight (g/mol): 212.695 MDL Number: MFCD08435886 InChI Key: GQMRXNSYTBKJTB-UHFFFAOYSA-N Synonym: 5-chloromethyl-1-methyl-3-thien-2-yl-1h-pyrazole,5-chloromethyl-1-methyl-3-thiophen-2-yl pyrazole,1h-pyrazole,5-chloromethyl-1-methyl-3-2-thienyl,2-5-chloromethyl-1-methylpyrazol-3-yl thiophene,5-chloromethyl-1-methyl-3-thiophen-2-yl-1h-pyrazole PubChem CID: 18525812 IUPAC Name: 5-(chloromethyl)-1-methyl-3-thiophen-2-ylpyrazole SMILES: CN1C(=CC(=N1)C2=CC=CS2)CCl

PubChem CID 18525812
CAS 876316-96-0
Molecular Weight (g/mol) 212.695
MDL Number MFCD08435886
SMILES CN1C(=CC(=N1)C2=CC=CS2)CCl
Synonym 5-chloromethyl-1-methyl-3-thien-2-yl-1h-pyrazole,5-chloromethyl-1-methyl-3-thiophen-2-yl pyrazole,1h-pyrazole,5-chloromethyl-1-methyl-3-2-thienyl,2-5-chloromethyl-1-methylpyrazol-3-yl thiophene,5-chloromethyl-1-methyl-3-thiophen-2-yl-1h-pyrazole
IUPAC Name 5-(chloromethyl)-1-methyl-3-thiophen-2-ylpyrazole
InChI Key GQMRXNSYTBKJTB-UHFFFAOYSA-N
Molecular Formula C9H9ClN2S
9

2-Bromo-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1-ethanone, 95%, Thermo Scientific™

CAS: 7520-95-8 Molecular Formula: C12H10BrNOS Molecular Weight (g/mol): 296.182 MDL Number: MFCD04071443 InChI Key: BOMSILGSXFNLJX-UHFFFAOYSA-N Synonym: 2-bromo-1-4-methyl-2-phenyl-1,3-thiazol-5-yl-1-ethanone,2-bromo-1-4-methyl-2-phenyl-1,3-thiazol-5-yl ethanone,5-bromoacetyl-4-methyl-2-phenylthiazole,2-bromo-1-4-methyl-2-phenylthiazol-5-yl ethanone,2-bromo-1-4-methyl-2-phenyl 1,3-thiazol-5-yl ethan-1-one PubChem CID: 2795492 IUPAC Name: 2-bromo-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone SMILES: CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)CBr

PubChem CID 2795492
CAS 7520-95-8
Molecular Weight (g/mol) 296.182
MDL Number MFCD04071443
SMILES CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)CBr
Synonym 2-bromo-1-4-methyl-2-phenyl-1,3-thiazol-5-yl-1-ethanone,2-bromo-1-4-methyl-2-phenyl-1,3-thiazol-5-yl ethanone,5-bromoacetyl-4-methyl-2-phenylthiazole,2-bromo-1-4-methyl-2-phenylthiazol-5-yl ethanone,2-bromo-1-4-methyl-2-phenyl 1,3-thiazol-5-yl ethan-1-one
IUPAC Name 2-bromo-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone
InChI Key BOMSILGSXFNLJX-UHFFFAOYSA-N
Molecular Formula C12H10BrNOS
10

5-Nitro-1H-pyrazole, 90%, Thermo Scientific™

CAS: 26621-44-3 Molecular Formula: C3H3N3O2 Molecular Weight (g/mol): 113.08 MDL Number: MFCD00159621,MFCD00238787 InChI Key: MZRUFMBFIKGOAL-UHFFFAOYSA-N Synonym: 3-nitro-1h-pyrazole,3-nitropyrazole,1h-pyrazole, 3-nitro,3-nitro-2h-pyrazole,nitropyrazole,pyrazole, 3-nitro,5-nitro-1h-pyrazol,djw 94,djw-94,5-nitropyrazole PubChem CID: 123419 IUPAC Name: 5-nitro-1H-pyrazole SMILES: [O-][N+](=O)C1=CC=NN1

PubChem CID 123419
CAS 26621-44-3
Molecular Weight (g/mol) 113.08
MDL Number MFCD00159621,MFCD00238787
SMILES [O-][N+](=O)C1=CC=NN1
Synonym 3-nitro-1h-pyrazole,3-nitropyrazole,1h-pyrazole, 3-nitro,3-nitro-2h-pyrazole,nitropyrazole,pyrazole, 3-nitro,5-nitro-1h-pyrazol,djw 94,djw-94,5-nitropyrazole
IUPAC Name 5-nitro-1H-pyrazole
InChI Key MZRUFMBFIKGOAL-UHFFFAOYSA-N
Molecular Formula C3H3N3O2
11

4-(1h-imidazol-1-ylmethyl)benzoic acid hydrochloride, Thermo Scientific™

CAS: 135611-32-4 Molecular Formula: C11H11ClN2O2 Molecular Weight (g/mol): 238.671 MDL Number: MFCD08271922 InChI Key: MZTHHEXWAYFTBJ-UHFFFAOYSA-N Synonym: 4-1h-imidazol-1-ylmethyl benzoic acid hydrochloride,4-1h-imidazol-1-yl methyl benzoic acid hydrochloride,4-imidazol-1-ylmethyl benzoic acid hydrochloride,acmc-1bx8o,4-imidazolylmethyl benzoic acid, chloride,4-1h-imidazol-1-yl methyl benzoic acid-hydrogen chloride 1/1 PubChem CID: 18525764 IUPAC Name: 4-(imidazol-1-ylmethyl)benzoic acid;hydrochloride SMILES: C1=CC(=CC=C1CN2C=CN=C2)C(=O)O.Cl

PubChem CID 18525764
CAS 135611-32-4
Molecular Weight (g/mol) 238.671
MDL Number MFCD08271922
SMILES C1=CC(=CC=C1CN2C=CN=C2)C(=O)O.Cl
Synonym 4-1h-imidazol-1-ylmethyl benzoic acid hydrochloride,4-1h-imidazol-1-yl methyl benzoic acid hydrochloride,4-imidazol-1-ylmethyl benzoic acid hydrochloride,acmc-1bx8o,4-imidazolylmethyl benzoic acid, chloride,4-1h-imidazol-1-yl methyl benzoic acid-hydrogen chloride 1/1
IUPAC Name 4-(imidazol-1-ylmethyl)benzoic acid;hydrochloride
InChI Key MZTHHEXWAYFTBJ-UHFFFAOYSA-N
Molecular Formula C11H11ClN2O2
12

2-(2-Methyl-1,3-thiazol-4-yl)ethanol, 97%, Thermo Scientific™

CAS: 121357-04-8 Molecular Formula: C6H9NOS Molecular Weight (g/mol): 143.204 InChI Key: REKVZAFNJAMAQL-UHFFFAOYSA-N Synonym: 2-2-methyl-1,3-thiazol-4-yl ethanol,2-2-methylthiazol-4-yl ethanol,2-2-methyl-1,3-thiazol-4-yl ethan-1-ol,4-thiazoleethanol,2-methyl,2-2-methyl-4-thiazolyl ethanol,acmc-20duqt,2-methyl-4-thiazoleethanol,2-methylthiazole-4-ethanol,4-hydroxyethyl-2-methyl-1,3-thiazole PubChem CID: 19876739 IUPAC Name: 2-(2-methyl-1,3-thiazol-4-yl)ethanol SMILES: CC1=NC(=CS1)CCO

PubChem CID 19876739
CAS 121357-04-8
Molecular Weight (g/mol) 143.204
SMILES CC1=NC(=CS1)CCO
Synonym 2-2-methyl-1,3-thiazol-4-yl ethanol,2-2-methylthiazol-4-yl ethanol,2-2-methyl-1,3-thiazol-4-yl ethan-1-ol,4-thiazoleethanol,2-methyl,2-2-methyl-4-thiazolyl ethanol,acmc-20duqt,2-methyl-4-thiazoleethanol,2-methylthiazole-4-ethanol,4-hydroxyethyl-2-methyl-1,3-thiazole
IUPAC Name 2-(2-methyl-1,3-thiazol-4-yl)ethanol
InChI Key REKVZAFNJAMAQL-UHFFFAOYSA-N
Molecular Formula C6H9NOS
13

2-Bromo-1-[4-methyl-2-(2-pyrazinyl)-1,3-thiazol-5-yl]-1-ethanone, ≥90%, Thermo Scientific™

CAS: 423768-43-8 Molecular Formula: C10H8BrN3OS Molecular Weight (g/mol): 298.158 MDL Number: MFCD03407321 InChI Key: PQWKERRFBZJRSD-UHFFFAOYSA-N Synonym: 2-bromo-1-4-methyl-2-2-pyrazinyl-1,3-thiazol-5-yl-1-ethanone,2-bromo-1-4-methyl-2-pyrazin-2-yl thiazol-5-yl ethanone,ethanone,2-bromo-1-4-methyl-2-2-pyrazinyl-5-thiazolyl,2-bromo-1-4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl ethanone,5-bromoacetyl-4-methyl-2-pyrazin-2-yl-1,3-thiazole,2-bromo-1 4-methyl-2-2-pyrazinyl-1,3-thiazol-5-yl-1-ethanone,2-bromo-1-4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl ethan-1-one PubChem CID: 2776507 IUPAC Name: 2-bromo-1-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)ethanone SMILES: CC1=C(SC(=N1)C2=NC=CN=C2)C(=O)CBr

PubChem CID 2776507
CAS 423768-43-8
Molecular Weight (g/mol) 298.158
MDL Number MFCD03407321
SMILES CC1=C(SC(=N1)C2=NC=CN=C2)C(=O)CBr
Synonym 2-bromo-1-4-methyl-2-2-pyrazinyl-1,3-thiazol-5-yl-1-ethanone,2-bromo-1-4-methyl-2-pyrazin-2-yl thiazol-5-yl ethanone,ethanone,2-bromo-1-4-methyl-2-2-pyrazinyl-5-thiazolyl,2-bromo-1-4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl ethanone,5-bromoacetyl-4-methyl-2-pyrazin-2-yl-1,3-thiazole,2-bromo-1 4-methyl-2-2-pyrazinyl-1,3-thiazol-5-yl-1-ethanone,2-bromo-1-4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl ethan-1-one
IUPAC Name 2-bromo-1-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)ethanone
InChI Key PQWKERRFBZJRSD-UHFFFAOYSA-N
Molecular Formula C10H8BrN3OS
14

1-methyl-1h-indazole-3-carbonyl chloride, 97%, Thermo Scientific™

CAS: 106649-02-9 Molecular Formula: C9H7ClN2O Molecular Weight (g/mol): 194.62 MDL Number: MFCD02093096 InChI Key: NPNWVMBPSINFBV-UHFFFAOYSA-N Synonym: 1-methyl-1h-indazole-3-carbonyl chloride,1h-indazole-3-carbonylchloride, 1-methyl,1-methyl-1h-indazol-3-carbonyl chloride,1h-indazole-3-carbonyl chloride, 1-methyl,acmc-20mac8,1-methyl-3-indazolylcarbonyl chloride,1-methyl-indazole-3-carbonyl chloride,1-methyl-1h-indazole-3-carboxychloride,1-methyl-1h-indazole-3-carboxylic acid chloride PubChem CID: 7022055 IUPAC Name: 1-methylindazole-3-carbonyl chloride SMILES: CN1N=C(C(Cl)=O)C2=CC=CC=C12

PubChem CID 7022055
CAS 106649-02-9
Molecular Weight (g/mol) 194.62
MDL Number MFCD02093096
SMILES CN1N=C(C(Cl)=O)C2=CC=CC=C12
Synonym 1-methyl-1h-indazole-3-carbonyl chloride,1h-indazole-3-carbonylchloride, 1-methyl,1-methyl-1h-indazol-3-carbonyl chloride,1h-indazole-3-carbonyl chloride, 1-methyl,acmc-20mac8,1-methyl-3-indazolylcarbonyl chloride,1-methyl-indazole-3-carbonyl chloride,1-methyl-1h-indazole-3-carboxychloride,1-methyl-1h-indazole-3-carboxylic acid chloride
IUPAC Name 1-methylindazole-3-carbonyl chloride
InChI Key NPNWVMBPSINFBV-UHFFFAOYSA-N
Molecular Formula C9H7ClN2O
15

2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbaldehyde, 97%, Thermo Scientific™

CAS: 1034566-13-6 Molecular Formula: C6H4F3NOS Molecular Weight (g/mol): 195.159 MDL Number: MFCD12198128 InChI Key: FBQFBBGXQZDOQV-UHFFFAOYSA-N Synonym: 2-methyl-4-trifluoromethyl-1,3-thiazole-5-carbaldehyde,5-formyl-2-methyl-4-trifluoromethyl-1,3-thiazole PubChem CID: 43811060 IUPAC Name: 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbaldehyde SMILES: CC1=NC(=C(S1)C=O)C(F)(F)F

PubChem CID 43811060
CAS 1034566-13-6
Molecular Weight (g/mol) 195.159
MDL Number MFCD12198128
SMILES CC1=NC(=C(S1)C=O)C(F)(F)F
Synonym 2-methyl-4-trifluoromethyl-1,3-thiazole-5-carbaldehyde,5-formyl-2-methyl-4-trifluoromethyl-1,3-thiazole
IUPAC Name 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbaldehyde
InChI Key FBQFBBGXQZDOQV-UHFFFAOYSA-N
Molecular Formula C6H4F3NOS