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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)
Oxazoles (46)
Thiadiazoles (37)
Oxadiazoles (21)
Dithiazoles (2)

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1 – 15 of 837 results
1

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
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

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

3-Amino-1H-pyrazole-4-carbonitrile, 98%

CAS: 16617-46-2 Molecular Formula: C4H4N4 Molecular Weight (g/mol): 108.104 MDL Number: MFCD00005237 InChI Key: FFNKBQRKZRMYCL-UHFFFAOYSA-N Synonym: 3-amino-4-pyrazolecarbonitrile,3-amino-1h-pyrazole-4-carbonitrile,3-amino-4-cyanopyrazole,3-aminopyrazole-4-carbonitrile,5-amino-4-cyanopyrazole,1h-pyrazole-4-carbonitrile, 3-amino,5-aminopyrazole-4-carbonitrile,3-amino-4-cyano-1h-pyrazole,4-cyano-5-aminopyrazole,3-amino-4-cyano pyrazole PubChem CID: 85515 IUPAC Name: 5-amino-1H-pyrazole-4-carbonitrile SMILES: C1=NNC(=C1C#N)N

PubChem CID 85515
CAS 16617-46-2
Molecular Weight (g/mol) 108.104
MDL Number MFCD00005237
SMILES C1=NNC(=C1C#N)N
Synonym 3-amino-4-pyrazolecarbonitrile,3-amino-1h-pyrazole-4-carbonitrile,3-amino-4-cyanopyrazole,3-aminopyrazole-4-carbonitrile,5-amino-4-cyanopyrazole,1h-pyrazole-4-carbonitrile, 3-amino,5-aminopyrazole-4-carbonitrile,3-amino-4-cyano-1h-pyrazole,4-cyano-5-aminopyrazole,3-amino-4-cyano pyrazole
IUPAC Name 5-amino-1H-pyrazole-4-carbonitrile
InChI Key FFNKBQRKZRMYCL-UHFFFAOYSA-N
Molecular Formula C4H4N4
6

1H-Pyrazole, 98%

CAS: 288-13-1 Molecular Formula: C3H4N2 Molecular Weight (g/mol): 68.079 MDL Number: MFCD00005234 InChI Key: WTKZEGDFNFYCGP-UHFFFAOYSA-N Synonym: pyrazole,1,2-diazole,1h-pyrazol,pyrazol,unii-3qd5kjz7zj,3qd5kjz7zj,diazole,hpz,1-h-pyrazole,pyrazol#1 PubChem CID: 1048 ChEBI: CHEBI:17241 IUPAC Name: 1H-pyrazole SMILES: C1=CNN=C1

PubChem CID 1048
CAS 288-13-1
Molecular Weight (g/mol) 68.079
ChEBI CHEBI:17241
MDL Number MFCD00005234
SMILES C1=CNN=C1
Synonym pyrazole,1,2-diazole,1h-pyrazol,pyrazol,unii-3qd5kjz7zj,3qd5kjz7zj,diazole,hpz,1-h-pyrazole,pyrazol#1
IUPAC Name 1H-pyrazole
InChI Key WTKZEGDFNFYCGP-UHFFFAOYSA-N
Molecular Formula C3H4N2
7

Astemizole, 99+%

CAS: 68844-77-9 Molecular Formula: C28H31FN4O Molecular Weight (g/mol): 458.581 MDL Number: MFCD00153919 InChI Key: GXDALQBWZGODGZ-UHFFFAOYSA-N Synonym: astemizole,hismanal,histaminos,paralergin,laridal,retolen,alermizol,astemison,astemizol,histamen PubChem CID: 2247 ChEBI: CHEBI:2896 IUPAC Name: 1-[(4-fluorophenyl)methyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine SMILES: COC1=CC=C(C=C1)CCN2CCC(CC2)NC3=NC4=CC=CC=C4N3CC5=CC=C(C=C5)F

PubChem CID 2247
CAS 68844-77-9
Molecular Weight (g/mol) 458.581
ChEBI CHEBI:2896
MDL Number MFCD00153919
SMILES COC1=CC=C(C=C1)CCN2CCC(CC2)NC3=NC4=CC=CC=C4N3CC5=CC=C(C=C5)F
Synonym astemizole,hismanal,histaminos,paralergin,laridal,retolen,alermizol,astemison,astemizol,histamen
IUPAC Name 1-[(4-fluorophenyl)methyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine
InChI Key GXDALQBWZGODGZ-UHFFFAOYSA-N
Molecular Formula C28H31FN4O
8

2-(4-Methyl-5-thiazolyl)ethyl acetate, 98+%

CAS: 656-53-1 Molecular Formula: C8H11NO2S Molecular Weight (g/mol): 185.24 MDL Number: MFCD00005338 InChI Key: CRTCWNPLKVVXIX-UHFFFAOYSA-N Synonym: 2-4-methylthiazol-5-yl ethyl acetate,4-methyl-5-thiazolylethyl acetate,2-4-methyl-5-thiazolyl ethyl acetate,sulfurol acetate,4-methyl-5-2-acetoxyethyl thiazole,4-methyl-5-thiazoleethanol acetate,5-2-acetoxyethyl-4-methylthiazole,2-4-methyl-1,3-thiazol-5-yl ethyl acetate,5-thiazoleethanol, 4-methyl-, acetate ester,4-methyl-5-beta-acetoxyethyl thiazole PubChem CID: 61192 IUPAC Name: 2-(4-methyl-1,3-thiazol-5-yl)ethyl acetate SMILES: CC(=O)OCCC1=C(C)N=CS1

PubChem CID 61192
CAS 656-53-1
Molecular Weight (g/mol) 185.24
MDL Number MFCD00005338
SMILES CC(=O)OCCC1=C(C)N=CS1
Synonym 2-4-methylthiazol-5-yl ethyl acetate,4-methyl-5-thiazolylethyl acetate,2-4-methyl-5-thiazolyl ethyl acetate,sulfurol acetate,4-methyl-5-2-acetoxyethyl thiazole,4-methyl-5-thiazoleethanol acetate,5-2-acetoxyethyl-4-methylthiazole,2-4-methyl-1,3-thiazol-5-yl ethyl acetate,5-thiazoleethanol, 4-methyl-, acetate ester,4-methyl-5-beta-acetoxyethyl thiazole
IUPAC Name 2-(4-methyl-1,3-thiazol-5-yl)ethyl acetate
InChI Key CRTCWNPLKVVXIX-UHFFFAOYSA-N
Molecular Formula C8H11NO2S
9

1,1'-Thiocarbonyldiimidazole, tech 90%

CAS: 6160-65-2 Molecular Formula: C7H6N4S Molecular Weight (g/mol): 178.21 MDL Number: MFCD00005289 InChI Key: RAFNCPHFRHZCPS-UHFFFAOYSA-N Synonym: 1,1'-thiocarbonyldiimidazole,thiocarbonyldiimidazole,n,n'-thiocarbonyldiimidazole,di 1h-imidazol-1-yl methanethione,1,1-thiocarbonyldiimidazole,di imidazol-1-yl methanethione,n,n'-thiocarbonyldiimidazole tcdi,1h-imidazole, 1,1'-carbonothioylbis,n,n-thiocarbonyldiimidazole,1,1'-carbonothioylbis-1h-imidazole PubChem CID: 80264 IUPAC Name: di(imidazol-1-yl)methanethione SMILES: S=C(N1C=CN=C1)N1C=CN=C1

PubChem CID 80264
CAS 6160-65-2
Molecular Weight (g/mol) 178.21
MDL Number MFCD00005289
SMILES S=C(N1C=CN=C1)N1C=CN=C1
Synonym 1,1'-thiocarbonyldiimidazole,thiocarbonyldiimidazole,n,n'-thiocarbonyldiimidazole,di 1h-imidazol-1-yl methanethione,1,1-thiocarbonyldiimidazole,di imidazol-1-yl methanethione,n,n'-thiocarbonyldiimidazole tcdi,1h-imidazole, 1,1'-carbonothioylbis,n,n-thiocarbonyldiimidazole,1,1'-carbonothioylbis-1h-imidazole
IUPAC Name di(imidazol-1-yl)methanethione
InChI Key RAFNCPHFRHZCPS-UHFFFAOYSA-N
Molecular Formula C7H6N4S
10

2-Amino-4-tert-butylthiazole, 98%

CAS: 74370-93-7 Molecular Formula: C7H12N2S Molecular Weight (g/mol): 156.247 MDL Number: MFCD00051644 InChI Key: CUWZBHVYLVGOAB-UHFFFAOYSA-N Synonym: 2-amino-4-tert-butylthiazole,4-tert-butylthiazol-2-ylamine,4-tert-butyl thiazol-2-amine,4-tert-butyl-thiazol-2-ylamine,2-amino-4-t-butylthiazole,4-tert-butyl-1,3-thiazol-2-amine,4-tert-butylthiazol-2-amine,4-tert-butyl-1,3-thiazol-2-ylamine,2-thiazolamine, 4-1,1-dimethylethyl,4-tert-butyl-1,3-thiazole-2-ylamine PubChem CID: 2734202 IUPAC Name: 4-tert-butyl-1,3-thiazol-2-amine SMILES: CC(C)(C)C1=CSC(=N1)N

PubChem CID 2734202
CAS 74370-93-7
Molecular Weight (g/mol) 156.247
MDL Number MFCD00051644
SMILES CC(C)(C)C1=CSC(=N1)N
Synonym 2-amino-4-tert-butylthiazole,4-tert-butylthiazol-2-ylamine,4-tert-butyl thiazol-2-amine,4-tert-butyl-thiazol-2-ylamine,2-amino-4-t-butylthiazole,4-tert-butyl-1,3-thiazol-2-amine,4-tert-butylthiazol-2-amine,4-tert-butyl-1,3-thiazol-2-ylamine,2-thiazolamine, 4-1,1-dimethylethyl,4-tert-butyl-1,3-thiazole-2-ylamine
IUPAC Name 4-tert-butyl-1,3-thiazol-2-amine
InChI Key CUWZBHVYLVGOAB-UHFFFAOYSA-N
Molecular Formula C7H12N2S
11

4-(1-Imidazolyl)phenol, 97%

CAS: 10041-02-8 Molecular Formula: C9H8N2O Molecular Weight (g/mol): 160.18 MDL Number: MFCD00005281 InChI Key: CYKCUAPYWQDIKR-UHFFFAOYSA-N Synonym: 4-imidazol-1-yl phenol,4-1h-imidazol-1-yl phenol,4-imidazol-1-yl-phenol,4-1-imidazolyl phenol,1-p-hydroxyphenyl imidazole,phenol, 4-1h-imidazol-1-yl,1-4-hydroxyphenyl imidazole,4-imidazolylphenol,4‐ 1h‐imidazol‐1‐yl phenol compound 1,p-1-imidazolyl phenol PubChem CID: 82315 IUPAC Name: 4-imidazol-1-ylphenol SMILES: OC1=CC=C(C=C1)N1C=CN=C1

PubChem CID 82315
CAS 10041-02-8
Molecular Weight (g/mol) 160.18
MDL Number MFCD00005281
SMILES OC1=CC=C(C=C1)N1C=CN=C1
Synonym 4-imidazol-1-yl phenol,4-1h-imidazol-1-yl phenol,4-imidazol-1-yl-phenol,4-1-imidazolyl phenol,1-p-hydroxyphenyl imidazole,phenol, 4-1h-imidazol-1-yl,1-4-hydroxyphenyl imidazole,4-imidazolylphenol,4‐ 1h‐imidazol‐1‐yl phenol compound 1,p-1-imidazolyl phenol
IUPAC Name 4-imidazol-1-ylphenol
InChI Key CYKCUAPYWQDIKR-UHFFFAOYSA-N
Molecular Formula C9H8N2O
12

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
13

1-(n-Butyl)imidazole, 99%

CAS: 4316-42-1 Molecular Formula: C7H12N2 Molecular Weight (g/mol): 124.19 MDL Number: MFCD00042753 InChI Key: MCMFEZDRQOJKMN-UHFFFAOYSA-N Synonym: 1-butyl-1h-imidazole,1h-imidazole, 1-butyl,n-butylimidazole,1-n-butylimidazole,n-n-butyl imidazole,1-n-butyl imidazole,1-buthylimidazole,n-n-butylimidazole,imidazole, 1-butyl PubChem CID: 61347 IUPAC Name: 1-butyl-1H-imidazole SMILES: CCCCN1C=CN=C1

PubChem CID 61347
CAS 4316-42-1
Molecular Weight (g/mol) 124.19
MDL Number MFCD00042753
SMILES CCCCN1C=CN=C1
Synonym 1-butyl-1h-imidazole,1h-imidazole, 1-butyl,n-butylimidazole,1-n-butylimidazole,n-n-butyl imidazole,1-n-butyl imidazole,1-buthylimidazole,n-n-butylimidazole,imidazole, 1-butyl
IUPAC Name 1-butyl-1H-imidazole
InChI Key MCMFEZDRQOJKMN-UHFFFAOYSA-N
Molecular Formula C7H12N2
14

2,5-Bis(4-biphenylyl)-1,3,4-oxadiazole, 99%, Thermo Scientific Chemicals

CAS: 2043-06-3 MDL Number: MFCD00042666

CAS 2043-06-3
MDL Number MFCD00042666
15

1H-[1,2,4]Oxadiazolo[4,3-a]-quinoxalin-1-one, 98+%

CAS: 41443-28-1 Molecular Formula: C9H5N3O2 Molecular Weight (g/mol): 187.158 MDL Number: MFCD00792620 InChI Key: LZMHWZHOZLVYDL-UHFFFAOYSA-N Synonym: 1h-1,2,4 oxadiazolo 4,3-a quinoxalin-1-one,odq,1,2,4 oxadiazolo 4,3-a quinoxalin-1-one,unii-s57v2nmv38,1h-1,2,4 oxadiazolo 4,3-a-quinoxalin-1-one,1h-1,2,4 oxadiazolo-4,3,a quinoxalin-1-one,1-h-1,2,4 oxadiazolo-4,3,2 quinoxalin-1-ine,1h-odq PubChem CID: 1456 IUPAC Name: [1,2,4]oxadiazolo[4,3-a]quinoxalin-1-one SMILES: C1=CC=C2C(=C1)N=CC3=NOC(=O)N23

PubChem CID 1456
CAS 41443-28-1
Molecular Weight (g/mol) 187.158
MDL Number MFCD00792620
SMILES C1=CC=C2C(=C1)N=CC3=NOC(=O)N23
Synonym 1h-1,2,4 oxadiazolo 4,3-a quinoxalin-1-one,odq,1,2,4 oxadiazolo 4,3-a quinoxalin-1-one,unii-s57v2nmv38,1h-1,2,4 oxadiazolo 4,3-a-quinoxalin-1-one,1h-1,2,4 oxadiazolo-4,3,a quinoxalin-1-one,1-h-1,2,4 oxadiazolo-4,3,2 quinoxalin-1-ine,1h-odq
IUPAC Name [1,2,4]oxadiazolo[4,3-a]quinoxalin-1-one
InChI Key LZMHWZHOZLVYDL-UHFFFAOYSA-N
Molecular Formula C9H5N3O2