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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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1 – 15 of 318 results
1

2-Methyl-1,3-thiazole-4-carboxylic acid, 97%, Thermo Scientific™

CAS: 35272-15-2 Molecular Formula: C5H5NO2S Molecular Weight (g/mol): 143.16 MDL Number: MFCD03407332 InChI Key: ZHDRDZMTEOIWSX-UHFFFAOYSA-N Synonym: 2-methylthiazole-4-carboxylic acid,2-methyl-4-thiazolecarboxylic acid,4-thiazolecarboxylic acid, 2-methyl,2-methyl-thiazole-4-carboxylic acid,2-methyl-4-thiazolecarboxylicacid,2-methyl-thiazole4-carboxylic acid,4-thiazolecarboxylicacid, 2-methyl,2-methyl-1,3-thiazole-4-carboxylicacid PubChem CID: 284728 IUPAC Name: 2-methyl-1,3-thiazole-4-carboxylic acid SMILES: CC1=NC(=CS1)C(=O)O

PubChem CID 284728
CAS 35272-15-2
Molecular Weight (g/mol) 143.16
MDL Number MFCD03407332
SMILES CC1=NC(=CS1)C(=O)O
Synonym 2-methylthiazole-4-carboxylic acid,2-methyl-4-thiazolecarboxylic acid,4-thiazolecarboxylic acid, 2-methyl,2-methyl-thiazole-4-carboxylic acid,2-methyl-4-thiazolecarboxylicacid,2-methyl-thiazole4-carboxylic acid,4-thiazolecarboxylicacid, 2-methyl,2-methyl-1,3-thiazole-4-carboxylicacid
IUPAC Name 2-methyl-1,3-thiazole-4-carboxylic acid
InChI Key ZHDRDZMTEOIWSX-UHFFFAOYSA-N
Molecular Formula C5H5NO2S
3

7-Methylbenzo[d]isoxazol-3-ol, 97%, Thermo Scientific™

CAS: 36238-83-2 Molecular Formula: C8H7NO2 Molecular Weight (g/mol): 149.149 MDL Number: MFCD00104669 InChI Key: JUNCQBPTXAQOSA-UHFFFAOYSA-N Synonym: 7-methylbenzo d isoxazol-3-ol,7-methylbenzo d isoxazol-3 2h-one,7-methyl-1,2-benzoxazol-3-ol,3-hydroxy-7-methyl-1,2-benzisoxazole,7-methyl-2h-1,2-benzoxazol-3-one,7-methyl-benzo d isoxazol-3-ol,3-hydroxy-7-methyl-1,2-benzisoxazol,benzo d isoxazol-3-ol derivative, 3n,1,2-benzisoxazol-3 2h-one,7-methyl,7-methyl-1,2-benzoisoxazole-3 2h-one PubChem CID: 2782122 IUPAC Name: 7-methyl-1,2-benzoxazol-3-one SMILES: CC1=CC=CC2=C1ONC2=O

PubChem CID 2782122
CAS 36238-83-2
Molecular Weight (g/mol) 149.149
MDL Number MFCD00104669
SMILES CC1=CC=CC2=C1ONC2=O
Synonym 7-methylbenzo d isoxazol-3-ol,7-methylbenzo d isoxazol-3 2h-one,7-methyl-1,2-benzoxazol-3-ol,3-hydroxy-7-methyl-1,2-benzisoxazole,7-methyl-2h-1,2-benzoxazol-3-one,7-methyl-benzo d isoxazol-3-ol,3-hydroxy-7-methyl-1,2-benzisoxazol,benzo d isoxazol-3-ol derivative, 3n,1,2-benzisoxazol-3 2h-one,7-methyl,7-methyl-1,2-benzoisoxazole-3 2h-one
IUPAC Name 7-methyl-1,2-benzoxazol-3-one
InChI Key JUNCQBPTXAQOSA-UHFFFAOYSA-N
Molecular Formula C8H7NO2
4

2-(4-pyridyl)-1,3-thiazole-4-carboxylic acid, Thermo Scientific™

CAS: 21278-86-4 Molecular Formula: C9H5N2O2S Molecular Weight (g/mol): 205.21 MDL Number: MFCD00171745 InChI Key: COOQMBOJAAZEIR-UHFFFAOYSA-M Synonym: 2-pyridin-4-yl thiazole-4-carboxylic acid,2-4-pyridyl thiazole-4-carboxylic acid,2-pyridin-4-yl-1,3-thiazole-4-carboxylic acid,2-4-pyridyl-1,3-thiazole-4-carboxylic acid,2-4-pyridinyl-1,3-thiazole-4-carboxylic acid,2-pyridin-4-yl-thiazole-4-carboxylic acid,4-thiazolecarboxylicacid, 2-4-pyridinyl,acmc-1cr1v,4-thiazolecarboxylic acid, 2-4-pyridinyl,4-carboxy-2-4-pyridyl thiazole PubChem CID: 716091 IUPAC Name: 2-pyridin-4-yl-1,3-thiazole-4-carboxylic acid SMILES: [O-]C(=O)C1=CSC(=N1)C1=CC=NC=C1

PubChem CID 716091
CAS 21278-86-4
Molecular Weight (g/mol) 205.21
MDL Number MFCD00171745
SMILES [O-]C(=O)C1=CSC(=N1)C1=CC=NC=C1
Synonym 2-pyridin-4-yl thiazole-4-carboxylic acid,2-4-pyridyl thiazole-4-carboxylic acid,2-pyridin-4-yl-1,3-thiazole-4-carboxylic acid,2-4-pyridyl-1,3-thiazole-4-carboxylic acid,2-4-pyridinyl-1,3-thiazole-4-carboxylic acid,2-pyridin-4-yl-thiazole-4-carboxylic acid,4-thiazolecarboxylicacid, 2-4-pyridinyl,acmc-1cr1v,4-thiazolecarboxylic acid, 2-4-pyridinyl,4-carboxy-2-4-pyridyl thiazole
IUPAC Name 2-pyridin-4-yl-1,3-thiazole-4-carboxylic acid
InChI Key COOQMBOJAAZEIR-UHFFFAOYSA-M
Molecular Formula C9H5N2O2S
5

4-(2-Methyl-1H-imidazol-1-yl)benzoic acid hydrochloride hydrate, 95%, Thermo Scientific™

CAS: 921938-78-5 Molecular Formula: C11H13ClN2O3 Molecular Weight (g/mol): 256.686 InChI Key: PSHJNJCAKINUEP-UHFFFAOYSA-N Synonym: 4-2-methyl-1h-imidazol-1-yl benzoic acid hydrochloride hydrate,4-2-methylimidazol-1-yl benzoic acid hydrate hydrochloride PubChem CID: 44118781 IUPAC Name: 4-(2-methylimidazol-1-yl)benzoic acid;hydrate;hydrochloride SMILES: CC1=NC=CN1C2=CC=C(C=C2)C(=O)O.O.Cl

PubChem CID 44118781
CAS 921938-78-5
Molecular Weight (g/mol) 256.686
SMILES CC1=NC=CN1C2=CC=C(C=C2)C(=O)O.O.Cl
Synonym 4-2-methyl-1h-imidazol-1-yl benzoic acid hydrochloride hydrate,4-2-methylimidazol-1-yl benzoic acid hydrate hydrochloride
IUPAC Name 4-(2-methylimidazol-1-yl)benzoic acid;hydrate;hydrochloride
InChI Key PSHJNJCAKINUEP-UHFFFAOYSA-N
Molecular Formula C11H13ClN2O3
6

1-phenyl-1H-imidazole-2-carbaldehyde, Thermo Scientific™

CAS: 6002-15-9 Molecular Formula: C10H8N2O Molecular Weight (g/mol): 172.187 InChI Key: VJDRBJPZIHUDNE-UHFFFAOYSA-N Synonym: 1-phenyl-1h-imidazole-2-carbaldehyde,1h-imidazole-2-carboxaldehyde, 1-phenyl,1h-imidazole-2-carbaldehyde, 1-phenyl,1-phenyl-2-formylimidazole,1-phenylimidazole-2-carboxaldehyde PubChem CID: 6424701 IUPAC Name: 1-phenylimidazole-2-carbaldehyde SMILES: C1=CC=C(C=C1)N2C=CN=C2C=O

PubChem CID 6424701
CAS 6002-15-9
Molecular Weight (g/mol) 172.187
SMILES C1=CC=C(C=C1)N2C=CN=C2C=O
Synonym 1-phenyl-1h-imidazole-2-carbaldehyde,1h-imidazole-2-carboxaldehyde, 1-phenyl,1h-imidazole-2-carbaldehyde, 1-phenyl,1-phenyl-2-formylimidazole,1-phenylimidazole-2-carboxaldehyde
IUPAC Name 1-phenylimidazole-2-carbaldehyde
InChI Key VJDRBJPZIHUDNE-UHFFFAOYSA-N
Molecular Formula C10H8N2O
7

1-Methyl-1H-indazole-3-carbaldehyde, 97%, Thermo Scientific™

CAS: 4002-83-9 Molecular Formula: C9H8N2O Molecular Weight (g/mol): 160.18 MDL Number: MFCD08060478 InChI Key: KYDLGYCLCFKUHY-UHFFFAOYSA-N Synonym: 1-methyl-1h-indazole-3-carbaldehyde,1-methyl-1h-indazole-3-carboxaldehyde,3-formyl-1-methyl-1h-indazole,1-methyl-3-formylindazole,1h-indazole-3-carboxaldehyde,1-methyl PubChem CID: 7164545 IUPAC Name: 1-methylindazole-3-carbaldehyde SMILES: CN1N=C(C=O)C2=CC=CC=C12

PubChem CID 7164545
CAS 4002-83-9
Molecular Weight (g/mol) 160.18
MDL Number MFCD08060478
SMILES CN1N=C(C=O)C2=CC=CC=C12
Synonym 1-methyl-1h-indazole-3-carbaldehyde,1-methyl-1h-indazole-3-carboxaldehyde,3-formyl-1-methyl-1h-indazole,1-methyl-3-formylindazole,1h-indazole-3-carboxaldehyde,1-methyl
IUPAC Name 1-methylindazole-3-carbaldehyde
InChI Key KYDLGYCLCFKUHY-UHFFFAOYSA-N
Molecular Formula C9H8N2O
8

2-(3-Pyridyl)-1,3-thiazole-4-carboxylic acid, 97%, Thermo Scientific™

CAS: 39067-29-3 Molecular Formula: C9H6N2O2S Molecular Weight (g/mol): 206.219 MDL Number: MFCD00052304 InChI Key: FOQFGMAZUTUELM-UHFFFAOYSA-N Synonym: 2-pyridin-3-yl thiazole-4-carboxylic acid,2-3-pyridyl-1,3-thiazole-4-carboxylic acid,2-pyridin-3-yl-1,3-thiazole-4-carboxylic acid,4-thiazolecarboxylic acid, 2-3-pyridinyl,2-pyridin-3-yl-thiazole-4-carboxylic acid,2-3-pyridyl thiazole-4-carboxylic acid,2-3-pyridinyl-4-thiazolecarboxylic acid,2-pyrid-3-yl thiazole-4-carboxylic acid,2-3-pyridinyl-1,3-thiazole-4-carboxylic acid PubChem CID: 736513 IUPAC Name: 2-pyridin-3-yl-1,3-thiazole-4-carboxylic acid SMILES: C1=CC(=CN=C1)C2=NC(=CS2)C(=O)O

PubChem CID 736513
CAS 39067-29-3
Molecular Weight (g/mol) 206.219
MDL Number MFCD00052304
SMILES C1=CC(=CN=C1)C2=NC(=CS2)C(=O)O
Synonym 2-pyridin-3-yl thiazole-4-carboxylic acid,2-3-pyridyl-1,3-thiazole-4-carboxylic acid,2-pyridin-3-yl-1,3-thiazole-4-carboxylic acid,4-thiazolecarboxylic acid, 2-3-pyridinyl,2-pyridin-3-yl-thiazole-4-carboxylic acid,2-3-pyridyl thiazole-4-carboxylic acid,2-3-pyridinyl-4-thiazolecarboxylic acid,2-pyrid-3-yl thiazole-4-carboxylic acid,2-3-pyridinyl-1,3-thiazole-4-carboxylic acid
IUPAC Name 2-pyridin-3-yl-1,3-thiazole-4-carboxylic acid
InChI Key FOQFGMAZUTUELM-UHFFFAOYSA-N
Molecular Formula C9H6N2O2S
9

2-(1H-Imidazol-1-yl)aniline, 97%, Thermo Scientific™

CAS: 26286-54-4 Molecular Formula: C9H9N3 Molecular Weight (g/mol): 159.192 MDL Number: MFCD03274531 InChI Key: HVECTIQVQPUSEX-UHFFFAOYSA-N Synonym: 2-1h-imidazol-1-yl aniline,2-1-imidazolyl aniline,2-imidazol-1-yl-phenylamine,2-imidazol-1-yl aniline,benzenamine,2-1h-imidazol-1-yl,2-imidazolylphenylamine,2-1h-imidazol-1-yl benzenamine,pubchem10103,n-o-aminophenyl imidazole,2-imidazol-1-ylphenylamine PubChem CID: 320166 IUPAC Name: 2-imidazol-1-ylaniline SMILES: C1=CC=C(C(=C1)N)N2C=CN=C2

PubChem CID 320166
CAS 26286-54-4
Molecular Weight (g/mol) 159.192
MDL Number MFCD03274531
SMILES C1=CC=C(C(=C1)N)N2C=CN=C2
Synonym 2-1h-imidazol-1-yl aniline,2-1-imidazolyl aniline,2-imidazol-1-yl-phenylamine,2-imidazol-1-yl aniline,benzenamine,2-1h-imidazol-1-yl,2-imidazolylphenylamine,2-1h-imidazol-1-yl benzenamine,pubchem10103,n-o-aminophenyl imidazole,2-imidazol-1-ylphenylamine
IUPAC Name 2-imidazol-1-ylaniline
InChI Key HVECTIQVQPUSEX-UHFFFAOYSA-N
Molecular Formula C9H9N3
10

(5-Methylisoxazol-3-yl)methanol, 97%, Thermo Scientific™

CAS: 35166-33-7 Molecular Formula: C5H7NO2 Molecular Weight (g/mol): 113.12 MDL Number: MFCD00085129 InChI Key: MDYHWQQHEWDJKR-UHFFFAOYSA-N Synonym: 5-methylisoxazol-3-yl methanol,3-hydroxymethyl-5-methylisoxazole,5-methyl-1,2-oxazol-3-yl methanol,5-methyl-3-isoxazolemethanol,5-methyl-isoxazol-3-yl-methanol,5-methylisoxazole-3-methanol,5-methyl-3-isoxazolyl methanol,5-methyl-isoxazol-3-yl methanol,3-isoxazolemethanol, 5-methyl PubChem CID: 2736567 IUPAC Name: (5-methyl-1,2-oxazol-3-yl)methanol SMILES: CC1=CC(CO)=NO1

PubChem CID 2736567
CAS 35166-33-7
Molecular Weight (g/mol) 113.12
MDL Number MFCD00085129
SMILES CC1=CC(CO)=NO1
Synonym 5-methylisoxazol-3-yl methanol,3-hydroxymethyl-5-methylisoxazole,5-methyl-1,2-oxazol-3-yl methanol,5-methyl-3-isoxazolemethanol,5-methyl-isoxazol-3-yl-methanol,5-methylisoxazole-3-methanol,5-methyl-3-isoxazolyl methanol,5-methyl-isoxazol-3-yl methanol,3-isoxazolemethanol, 5-methyl
IUPAC Name (5-methyl-1,2-oxazol-3-yl)methanol
InChI Key MDYHWQQHEWDJKR-UHFFFAOYSA-N
Molecular Formula C5H7NO2
11

3-methyl-4-isoxazolecarboxylic acid, 97%, Thermo Scientific™

CAS: 17153-20-7 Molecular Formula: C5H5NO3 Molecular Weight (g/mol): 127.099 InChI Key: YBLSBWHFPXDRHC-UHFFFAOYSA-N Synonym: 3-methylisoxazole-4-carboxylic acid,3-methyl-4-isoxazolecarboxylic acid,3-methyl-4-isoxazolecarboxylicacid,3-methyl-isoxazole-4-carboxylic acid,4-isoxazolecarboxylic acid, 3-methyl,3-methylisoxazole-4-carboxylicacid,pubchem10465,acmc-1c78i,3-methylisoxazole-s-carboxylic acid,4-isoxazolecarboxylicacid,3-methyl PubChem CID: 4589692 IUPAC Name: 3-methyl-1,2-oxazole-4-carboxylic acid SMILES: CC1=NOC=C1C(=O)O

PubChem CID 4589692
CAS 17153-20-7
Molecular Weight (g/mol) 127.099
SMILES CC1=NOC=C1C(=O)O
Synonym 3-methylisoxazole-4-carboxylic acid,3-methyl-4-isoxazolecarboxylic acid,3-methyl-4-isoxazolecarboxylicacid,3-methyl-isoxazole-4-carboxylic acid,4-isoxazolecarboxylic acid, 3-methyl,3-methylisoxazole-4-carboxylicacid,pubchem10465,acmc-1c78i,3-methylisoxazole-s-carboxylic acid,4-isoxazolecarboxylicacid,3-methyl
IUPAC Name 3-methyl-1,2-oxazole-4-carboxylic acid
InChI Key YBLSBWHFPXDRHC-UHFFFAOYSA-N
Molecular Formula C5H5NO3
13

3-Methylisoxazole-5-carboxylic acid, 97%, Thermo Scientific™

CAS: 4857-42-5 Molecular Formula: C5H5NO3 Molecular Weight (g/mol): 127.099 MDL Number: MFCD00464222 InChI Key: HXIYCKAAQPHZBM-UHFFFAOYSA-N Synonym: 3-methylisoxazole-5-carboxylic acid,3-methyl-5-isoxazolecarboxylic acid,5-isoxazolecarboxylic acid, 3-methyl,3-methyl-isoxazole-5-carboxylic acid,5-carboxy-3-methylisoxazole,5-isoxazolecarboxylicacid, 3-methyl,3-methylisoxazole-5-carboxylicacid,acmc-1aruu,3-methyl-5-carboxyisoxazole,aronis24519 PubChem CID: 853085 IUPAC Name: 3-methyl-1,2-oxazole-5-carboxylic acid SMILES: CC1=NOC(=C1)C(=O)O

PubChem CID 853085
CAS 4857-42-5
Molecular Weight (g/mol) 127.099
MDL Number MFCD00464222
SMILES CC1=NOC(=C1)C(=O)O
Synonym 3-methylisoxazole-5-carboxylic acid,3-methyl-5-isoxazolecarboxylic acid,5-isoxazolecarboxylic acid, 3-methyl,3-methyl-isoxazole-5-carboxylic acid,5-carboxy-3-methylisoxazole,5-isoxazolecarboxylicacid, 3-methyl,3-methylisoxazole-5-carboxylicacid,acmc-1aruu,3-methyl-5-carboxyisoxazole,aronis24519
IUPAC Name 3-methyl-1,2-oxazole-5-carboxylic acid
InChI Key HXIYCKAAQPHZBM-UHFFFAOYSA-N
Molecular Formula C5H5NO3
14

5-Bromo-4-methyl-2-phenyl-1,3-oxazole, 95%, Thermo Scientific™

CAS: 21354-98-3 Molecular Formula: C10H8BrNO Molecular Weight (g/mol): 238.08 MDL Number: MFCD11109319 InChI Key: QHQQHNFHCQSTBJ-UHFFFAOYSA-N Synonym: 5-bromo-4-methyl-2-phenyloxazole,4-methyl-2-phenyl-5-bromooxazole,oxazole,5-bromo-4-methyl-2-phenyl,5-bromo-4-methyl-1,3-oxazol-2-yl benzene PubChem CID: 15328586 IUPAC Name: 5-bromo-4-methyl-2-phenyl-1,3-oxazole SMILES: CC1=C(Br)OC(=N1)C1=CC=CC=C1

PubChem CID 15328586
CAS 21354-98-3
Molecular Weight (g/mol) 238.08
MDL Number MFCD11109319
SMILES CC1=C(Br)OC(=N1)C1=CC=CC=C1
Synonym 5-bromo-4-methyl-2-phenyloxazole,4-methyl-2-phenyl-5-bromooxazole,oxazole,5-bromo-4-methyl-2-phenyl,5-bromo-4-methyl-1,3-oxazol-2-yl benzene
IUPAC Name 5-bromo-4-methyl-2-phenyl-1,3-oxazole
InChI Key QHQQHNFHCQSTBJ-UHFFFAOYSA-N
Molecular Formula C10H8BrNO
15

4-Methyl-2-(2-pyrazinyl)-1,3-thiazole-5-carboxylic acid, 97%, Thermo Scientific™

CAS: 216959-92-1 Molecular Formula: C9H7N3O2S Molecular Weight (g/mol): 221.23 MDL Number: MFCD00111662 InChI Key: XDZXQDHRHGIPRN-UHFFFAOYSA-N Synonym: 4-methyl-2-2-pyrazinyl-1,3-thiazole-5-carboxylic acid,4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxylic acid,2-5-carboxy-4-methyl-1,3-thiazol-2-yl pyrazine,4-methyl-2-2-pyrazinyl thiazole-5-carboxylic acid,4-methyl-2-2-pyrazinyl-thiazole-5-carboxylic acid,4-methyl-2-pyrazin-2-yl thiazole-5-carboxylic acid,5-carboxy-4-methyl-2-pyrazin-2-yl-1,3-thiazole,5-thiazolecarboxylicacid, 4-methyl-2-2-pyrazinyl,5-thiazolecarboxylic acid, 4-methyl-2-2-pyrazinyl PubChem CID: 2776505 IUPAC Name: 4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxylic acid SMILES: CC1=C(SC(=N1)C1=NC=CN=C1)C(O)=O

PubChem CID 2776505
CAS 216959-92-1
Molecular Weight (g/mol) 221.23
MDL Number MFCD00111662
SMILES CC1=C(SC(=N1)C1=NC=CN=C1)C(O)=O
Synonym 4-methyl-2-2-pyrazinyl-1,3-thiazole-5-carboxylic acid,4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxylic acid,2-5-carboxy-4-methyl-1,3-thiazol-2-yl pyrazine,4-methyl-2-2-pyrazinyl thiazole-5-carboxylic acid,4-methyl-2-2-pyrazinyl-thiazole-5-carboxylic acid,4-methyl-2-pyrazin-2-yl thiazole-5-carboxylic acid,5-carboxy-4-methyl-2-pyrazin-2-yl-1,3-thiazole,5-thiazolecarboxylicacid, 4-methyl-2-2-pyrazinyl,5-thiazolecarboxylic acid, 4-methyl-2-2-pyrazinyl
IUPAC Name 4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxylic acid
InChI Key XDZXQDHRHGIPRN-UHFFFAOYSA-N
Molecular Formula C9H7N3O2S