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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.
Imidazoles (618)
Thiazoles (275)
Pyrazoles (231)
Triazoles (182)
Isoxazoles (97)
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Thiadiazoles (37)
Oxadiazoles (21)
Dithiazoles (2)

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1 – 15 of 837 results
1

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
2

3-(Bromomethyl)-5-methylisoxazole, 97%, Thermo Scientific™

CAS: 130628-75-0 Molecular Formula: C5H6BrNO Molecular Weight (g/mol): 176.01 MDL Number: MFCD02677720 InChI Key: ASGJFGPILHALRC-UHFFFAOYSA-N Synonym: 3-bromomethyl-5-methylisoxazole,3-bromomethyl-5-methyl-1,2-oxazole,3-bromomethyl-5-methyl-isoxazole,isoxazole,3-bromomethyl-5-methyl,zlchem 1313,acmc-1ca86,3-bromomethyl-5-methylisoxazol,5-brimomethyl-3-methylisoxazle PubChem CID: 2776304 IUPAC Name: 3-(bromomethyl)-5-methyl-1,2-oxazole SMILES: CC1=CC(CBr)=NO1

PubChem CID 2776304
CAS 130628-75-0
Molecular Weight (g/mol) 176.01
MDL Number MFCD02677720
SMILES CC1=CC(CBr)=NO1
Synonym 3-bromomethyl-5-methylisoxazole,3-bromomethyl-5-methyl-1,2-oxazole,3-bromomethyl-5-methyl-isoxazole,isoxazole,3-bromomethyl-5-methyl,zlchem 1313,acmc-1ca86,3-bromomethyl-5-methylisoxazol,5-brimomethyl-3-methylisoxazle
IUPAC Name 3-(bromomethyl)-5-methyl-1,2-oxazole
InChI Key ASGJFGPILHALRC-UHFFFAOYSA-N
Molecular Formula C5H6BrNO
3

5-(Bromomethyl)-1-methyl-1H-1,2,3-benzotriazole, 90+%, Thermo Scientific™

CAS: 499770-76-2 Molecular Formula: C8H8BrN3 Molecular Weight (g/mol): 226.077 InChI Key: OSUZHHPMRAIJDY-UHFFFAOYSA-N Synonym: 5-bromomethyl-1-methyl-1h-benzo d 1,2,3 triazole,5-bromomethyl-1-methyl-1h-1,2,3-benzotriazole,5-bromomethyl-1-methylbenzotriazole,5-bromomethyl-1-methyl-benzotriazole,1h-benzotriazole, 5-bromomethyl-1-methyl,5-bromomethyl-1-methyl-1,2,3-benzotriazole,5-bromomethyl-1-methyl-1h-benzotriazole PubChem CID: 2795418 IUPAC Name: 5-(bromomethyl)-1-methylbenzotriazole SMILES: CN1C2=C(C=C(C=C2)CBr)N=N1

PubChem CID 2795418
CAS 499770-76-2
Molecular Weight (g/mol) 226.077
SMILES CN1C2=C(C=C(C=C2)CBr)N=N1
Synonym 5-bromomethyl-1-methyl-1h-benzo d 1,2,3 triazole,5-bromomethyl-1-methyl-1h-1,2,3-benzotriazole,5-bromomethyl-1-methylbenzotriazole,5-bromomethyl-1-methyl-benzotriazole,1h-benzotriazole, 5-bromomethyl-1-methyl,5-bromomethyl-1-methyl-1,2,3-benzotriazole,5-bromomethyl-1-methyl-1h-benzotriazole
IUPAC Name 5-(bromomethyl)-1-methylbenzotriazole
InChI Key OSUZHHPMRAIJDY-UHFFFAOYSA-N
Molecular Formula C8H8BrN3
4

2,5-Dimethyl-1,3-oxazole-4-carboxylic acid, 97%, Thermo Scientific™

CAS: 23000-14-8 Molecular Formula: C6H7NO3 Molecular Weight (g/mol): 141.126 MDL Number: MFCD03011595 InChI Key: LHGRUGVXZLHYKE-UHFFFAOYSA-N Synonym: 2,5-dimethyloxazole-4-carboxylic acid,dimethyl-1,3-oxazole-4-carboxylic acid,4-oxazolecarboxylic acid, 2,5-dimethyl,2,5-dimethyl-1,3-oxazole-4-carboxylicacid,4-carboxy-2,5-dimethyl-1,3-oxazole,2,5-dimethyl-oxazole-4-carboxylic acid,2.5-dimethyl-1,3-oxazole-4-carboxylic acid PubChem CID: 2795465 IUPAC Name: 2,5-dimethyl-1,3-oxazole-4-carboxylic acid SMILES: CC1=C(N=C(O1)C)C(=O)O

PubChem CID 2795465
CAS 23000-14-8
Molecular Weight (g/mol) 141.126
MDL Number MFCD03011595
SMILES CC1=C(N=C(O1)C)C(=O)O
Synonym 2,5-dimethyloxazole-4-carboxylic acid,dimethyl-1,3-oxazole-4-carboxylic acid,4-oxazolecarboxylic acid, 2,5-dimethyl,2,5-dimethyl-1,3-oxazole-4-carboxylicacid,4-carboxy-2,5-dimethyl-1,3-oxazole,2,5-dimethyl-oxazole-4-carboxylic acid,2.5-dimethyl-1,3-oxazole-4-carboxylic acid
IUPAC Name 2,5-dimethyl-1,3-oxazole-4-carboxylic acid
InChI Key LHGRUGVXZLHYKE-UHFFFAOYSA-N
Molecular Formula C6H7NO3
5

(1,5-Dimethyl-1H-pyrazol-3-yl)methanol, 97%, Thermo Scientific™

CAS: 153912-60-8 Molecular Formula: C6H10N2O Molecular Weight (g/mol): 126.159 MDL Number: MFCD03659702 InChI Key: XJBMHIHXRARJJS-UHFFFAOYSA-N Synonym: 1,5-dimethyl-1h-pyrazol-3-yl methanol,1,5-dimethyl-1h-pyrazol-3-yl-methanol,1,5-dimethylpyrazol-3-yl methanol,3-hydroxymethyl-1,5-dimethyl-1h-pyrazole,1h-pyrazole-3-methanol,1,5-dimethyl,1,5-dimethyl-3-hydroxymethyl-1h-pyrazole,1,5-dimethyl-3-hydroxymethyl pyrazole,akos pao-0060,acmc-1cisl,1,5-dimethylpyrazole-3-methanol PubChem CID: 2776366 IUPAC Name: (1,5-dimethylpyrazol-3-yl)methanol SMILES: CC1=CC(=NN1C)CO

PubChem CID 2776366
CAS 153912-60-8
Molecular Weight (g/mol) 126.159
MDL Number MFCD03659702
SMILES CC1=CC(=NN1C)CO
Synonym 1,5-dimethyl-1h-pyrazol-3-yl methanol,1,5-dimethyl-1h-pyrazol-3-yl-methanol,1,5-dimethylpyrazol-3-yl methanol,3-hydroxymethyl-1,5-dimethyl-1h-pyrazole,1h-pyrazole-3-methanol,1,5-dimethyl,1,5-dimethyl-3-hydroxymethyl-1h-pyrazole,1,5-dimethyl-3-hydroxymethyl pyrazole,akos pao-0060,acmc-1cisl,1,5-dimethylpyrazole-3-methanol
IUPAC Name (1,5-dimethylpyrazol-3-yl)methanol
InChI Key XJBMHIHXRARJJS-UHFFFAOYSA-N
Molecular Formula C6H10N2O
6

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
7

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
8

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

CAS: 61291-91-6 Molecular Formula: C11H11NOS Molecular Weight (g/mol): 205.275 MDL Number: MFCD01928782 InChI Key: JSIPFWSPCWZJIU-UHFFFAOYSA-N Synonym: 4-methyl-2-phenyl-1,3-thiazol-5-yl methanol,4-methyl-2-phenylthiazol-5-yl methanol,4-methyl-2-phenyl-thiazol-5-yl-methanol,4-methyl-2-phenyl-1,3-thiazol-5-yl methan-1-ol,4-methyl-2-phenyl-5-thiazolemethanol,5-hydroxymethyl-4-methyl-2-phenylthiazole PubChem CID: 736541 IUPAC Name: (4-methyl-2-phenyl-1,3-thiazol-5-yl)methanol SMILES: CC1=C(SC(=N1)C2=CC=CC=C2)CO

PubChem CID 736541
CAS 61291-91-6
Molecular Weight (g/mol) 205.275
MDL Number MFCD01928782
SMILES CC1=C(SC(=N1)C2=CC=CC=C2)CO
Synonym 4-methyl-2-phenyl-1,3-thiazol-5-yl methanol,4-methyl-2-phenylthiazol-5-yl methanol,4-methyl-2-phenyl-thiazol-5-yl-methanol,4-methyl-2-phenyl-1,3-thiazol-5-yl methan-1-ol,4-methyl-2-phenyl-5-thiazolemethanol,5-hydroxymethyl-4-methyl-2-phenylthiazole
IUPAC Name (4-methyl-2-phenyl-1,3-thiazol-5-yl)methanol
InChI Key JSIPFWSPCWZJIU-UHFFFAOYSA-N
Molecular Formula C11H11NOS
10

5-Acetyl-2,4-dimethylthiazole, 99%

CAS: 38205-60-6 Molecular Formula: C7H9NOS Molecular Weight (g/mol): 155.215 MDL Number: MFCD00005331 InChI Key: BLQOKWQUTLNKON-UHFFFAOYSA-N Synonym: 5-acetyl-2,4-dimethylthiazole,2,4-dimethyl-5-acetylthiazole,1-2,4-dimethylthiazol-5-yl ethanone,1-2,4-dimethyl-1,3-thiazol-5-yl ethanone,unii-pd36fu2wgy,ethanone, 1-2,4-dimethyl-5-thiazolyl,1-2,4-dimethyl-5-thiazolyl ethanone,pd36fu2wgy,2,4-dimethyl-5-thiazoyl methyl ketone,ketone, 2,4-dimethyl-5-thiazolyl methyl PubChem CID: 520888 IUPAC Name: 1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone SMILES: CC1=C(SC(=N1)C)C(=O)C

PubChem CID 520888
CAS 38205-60-6
Molecular Weight (g/mol) 155.215
MDL Number MFCD00005331
SMILES CC1=C(SC(=N1)C)C(=O)C
Synonym 5-acetyl-2,4-dimethylthiazole,2,4-dimethyl-5-acetylthiazole,1-2,4-dimethylthiazol-5-yl ethanone,1-2,4-dimethyl-1,3-thiazol-5-yl ethanone,unii-pd36fu2wgy,ethanone, 1-2,4-dimethyl-5-thiazolyl,1-2,4-dimethyl-5-thiazolyl ethanone,pd36fu2wgy,2,4-dimethyl-5-thiazoyl methyl ketone,ketone, 2,4-dimethyl-5-thiazolyl methyl
IUPAC Name 1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone
InChI Key BLQOKWQUTLNKON-UHFFFAOYSA-N
Molecular Formula C7H9NOS
11

Methyl isoxazole-5-carboxylate, 97%

CAS: 15055-81-9 Molecular Formula: C5H5NO3 Molecular Weight (g/mol): 127.099 MDL Number: MFCD01570794 InChI Key: ILPCPKZAAQXHKL-UHFFFAOYSA-N Synonym: methyl isoxazole-5-carboxylate,5-isoxazolecarboxylic acid, methyl ester,isoxazole-5-carboxylic acid methyl ester,acmc-209wih,methyl 5-isoxazolcarboxylate,methyl 5-isoxazolcarboxylate;,methylisoxazole-5-carboxylate,5-methoxycarbonyl-1,2-oxazol,5-isoxazol-carbonsaeure-methylester;,isoxazol-5-carbonsaeure-methylester; PubChem CID: 2736892 IUPAC Name: methyl 1,2-oxazole-5-carboxylate SMILES: COC(=O)C1=CC=NO1

PubChem CID 2736892
CAS 15055-81-9
Molecular Weight (g/mol) 127.099
MDL Number MFCD01570794
SMILES COC(=O)C1=CC=NO1
Synonym methyl isoxazole-5-carboxylate,5-isoxazolecarboxylic acid, methyl ester,isoxazole-5-carboxylic acid methyl ester,acmc-209wih,methyl 5-isoxazolcarboxylate,methyl 5-isoxazolcarboxylate;,methylisoxazole-5-carboxylate,5-methoxycarbonyl-1,2-oxazol,5-isoxazol-carbonsaeure-methylester;,isoxazol-5-carbonsaeure-methylester;
IUPAC Name methyl 1,2-oxazole-5-carboxylate
InChI Key ILPCPKZAAQXHKL-UHFFFAOYSA-N
Molecular Formula C5H5NO3
12

1-Methylimidazole, 99%

CAS: 616-47-7 Molecular Formula: C4H6N2 Molecular Weight (g/mol): 82.11 MDL Number: MFCD00005292 InChI Key: MCTWTZJPVLRJOU-UHFFFAOYSA-N Synonym: 1-methyl-1h-imidazole,n-methylimidazole,1h-imidazole, 1-methyl,imidazole, 1-methyl,n-methyl imidazole,1-methyl-imidazole,unii-p4617qs63y,1-methyl-1h-imidazol,n-methylimidazol,1-methylimdazole PubChem CID: 1390 ChEBI: CHEBI:113454 SMILES: CN1C=CN=C1

PubChem CID 1390
CAS 616-47-7
Molecular Weight (g/mol) 82.11
ChEBI CHEBI:113454
MDL Number MFCD00005292
SMILES CN1C=CN=C1
Synonym 1-methyl-1h-imidazole,n-methylimidazole,1h-imidazole, 1-methyl,imidazole, 1-methyl,n-methyl imidazole,1-methyl-imidazole,unii-p4617qs63y,1-methyl-1h-imidazol,n-methylimidazol,1-methylimdazole
InChI Key MCTWTZJPVLRJOU-UHFFFAOYSA-N
Molecular Formula C4H6N2
13

2,5-Dimercapto-1,3,4-thiadiazole, 97% (dry wt.), water <3%

CAS: 1072-71-5 Molecular Formula: C2H2N2S3 Molecular Weight (g/mol): 150.23 MDL Number: MFCD00003103 InChI Key: BIGYLAKFCGVRAN-UHFFFAOYSA-N Synonym: 1,3,4-thiadiazole-2,5-dithiol,2,5-dimercapto-1,3,4-thiadiazole,bismuthiol i,dimercaptothiadiazole,bismuththiol,2,5-dimercaptothiadiazole,usaf a-8354,bismuthiol,py 61h,bismuththiol i PubChem CID: 2723630 IUPAC Name: 1,3,4-thiadiazolidine-2,5-dithione SMILES: S=C1NNC(=S)S1

PubChem CID 2723630
CAS 1072-71-5
Molecular Weight (g/mol) 150.23
MDL Number MFCD00003103
SMILES S=C1NNC(=S)S1
Synonym 1,3,4-thiadiazole-2,5-dithiol,2,5-dimercapto-1,3,4-thiadiazole,bismuthiol i,dimercaptothiadiazole,bismuththiol,2,5-dimercaptothiadiazole,usaf a-8354,bismuthiol,py 61h,bismuththiol i
IUPAC Name 1,3,4-thiadiazolidine-2,5-dithione
InChI Key BIGYLAKFCGVRAN-UHFFFAOYSA-N
Molecular Formula C2H2N2S3
14

1-Methylbenzimidazole, 97%

CAS: 1632-83-3 Molecular Formula: C8H8N2 Molecular Weight (g/mol): 132.17 MDL Number: MFCD00192275 InChI Key: FGYADSCZTQOAFK-UHFFFAOYSA-N Synonym: 1-methyl-1h-benzimidazole,1h-benzimidazole, 1-methyl,methylbenzimidazole,unii-12lw89n19y,1-methyl-1h-benzo d imidazole,1h-benzimidazole, methyl,1-methyl-1,3-benzodiazole,1-methyl-1h-1,3-benzodiazole,pubchem7613,1-methylbenzimidazole PubChem CID: 95890 IUPAC Name: 1-methylbenzimidazole SMILES: CN1C=NC2=CC=CC=C12

PubChem CID 95890
CAS 1632-83-3
Molecular Weight (g/mol) 132.17
MDL Number MFCD00192275
SMILES CN1C=NC2=CC=CC=C12
Synonym 1-methyl-1h-benzimidazole,1h-benzimidazole, 1-methyl,methylbenzimidazole,unii-12lw89n19y,1-methyl-1h-benzo d imidazole,1h-benzimidazole, methyl,1-methyl-1,3-benzodiazole,1-methyl-1h-1,3-benzodiazole,pubchem7613,1-methylbenzimidazole
IUPAC Name 1-methylbenzimidazole
InChI Key FGYADSCZTQOAFK-UHFFFAOYSA-N
Molecular Formula C8H8N2
15

1-(4-Methoxyphenyl)imidazole, 98%

CAS: 10040-95-6 Molecular Formula: C10H10N2O Molecular Weight (g/mol): 174.203 MDL Number: MFCD00060492 InChI Key: XNLOIFUGGCCEQX-UHFFFAOYSA-N PubChem CID: 82328 IUPAC Name: 1-(4-methoxyphenyl)imidazole SMILES: COC1=CC=C(C=C1)N2C=CN=C2

PubChem CID 82328
CAS 10040-95-6
Molecular Weight (g/mol) 174.203
MDL Number MFCD00060492
SMILES COC1=CC=C(C=C1)N2C=CN=C2
IUPAC Name 1-(4-methoxyphenyl)imidazole
InChI Key XNLOIFUGGCCEQX-UHFFFAOYSA-N
Molecular Formula C10H10N2O