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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 (270)
Pyrazoles (231)
Triazoles (182)
Isoxazoles (95)
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Oxadiazoles (21)
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1 – 15 of 832 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

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
4

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
5

3-Amino-1H-1,2,4-triazole, 96%

CAS: 61-82-5 Molecular Formula: C2H4N4 Molecular Weight (g/mol): 84.08 MDL Number: MFCD00005230,MFCD00053362 InChI Key: KLSJWNVTNUYHDU-UHFFFAOYSA-N Synonym: 3-amino-1,2,4-triazole,amitrole,aminotriazole,4h-1,2,4-triazol-3-amine,1h-1,2,4-triazol-3-amine,amitrol,amerol,amizol,emisol,vorox PubChem CID: 1639 ChEBI: CHEBI:40036 IUPAC Name: 1H-1,2,4-triazol-5-amine SMILES: NC1=NC=NN1

PubChem CID 1639
CAS 61-82-5
Molecular Weight (g/mol) 84.08
ChEBI CHEBI:40036
MDL Number MFCD00005230,MFCD00053362
SMILES NC1=NC=NN1
Synonym 3-amino-1,2,4-triazole,amitrole,aminotriazole,4h-1,2,4-triazol-3-amine,1h-1,2,4-triazol-3-amine,amitrol,amerol,amizol,emisol,vorox
IUPAC Name 1H-1,2,4-triazol-5-amine
InChI Key KLSJWNVTNUYHDU-UHFFFAOYSA-N
Molecular Formula C2H4N4
6

3-Amino-1H-1,2,4-triazole, 95%

CAS: 61-82-5 Molecular Formula: C2H4N4 Molecular Weight (g/mol): 84.08 MDL Number: MFCD00005230,MFCD00053362 InChI Key: KLSJWNVTNUYHDU-UHFFFAOYSA-N Synonym: 3-amino-1,2,4-triazole,amitrole,aminotriazole,4h-1,2,4-triazol-3-amine,1h-1,2,4-triazol-3-amine,amitrol,amerol,amizol,emisol,vorox PubChem CID: 1639 ChEBI: CHEBI:40036 IUPAC Name: 1H-1,2,4-triazol-5-amine SMILES: NC1=NC=NN1

PubChem CID 1639
CAS 61-82-5
Molecular Weight (g/mol) 84.08
ChEBI CHEBI:40036
MDL Number MFCD00005230,MFCD00053362
SMILES NC1=NC=NN1
Synonym 3-amino-1,2,4-triazole,amitrole,aminotriazole,4h-1,2,4-triazol-3-amine,1h-1,2,4-triazol-3-amine,amitrol,amerol,amizol,emisol,vorox
IUPAC Name 1H-1,2,4-triazol-5-amine
InChI Key KLSJWNVTNUYHDU-UHFFFAOYSA-N
Molecular Formula C2H4N4
7

Ethyl 2-chlorooxazole-4-carboxylate, 95%, Thermo Scientific Chemicals

CAS: 460081-18-9 Molecular Formula: C6H6ClNO3 Molecular Weight (g/mol): 175.568 MDL Number: MFCD06660120 InChI Key: SYWQOPRAPDMWMC-UHFFFAOYSA-N PubChem CID: 2763184 IUPAC Name: ethyl 2-chloro-1,3-oxazole-4-carboxylate SMILES: CCOC(=O)C1=COC(=N1)Cl

PubChem CID 2763184
CAS 460081-18-9
Molecular Weight (g/mol) 175.568
MDL Number MFCD06660120
SMILES CCOC(=O)C1=COC(=N1)Cl
IUPAC Name ethyl 2-chloro-1,3-oxazole-4-carboxylate
InChI Key SYWQOPRAPDMWMC-UHFFFAOYSA-N
Molecular Formula C6H6ClNO3
8

2-Amino-5-chlorothiazole hydrochloride, 97%

CAS: 55506-37-1 Molecular Formula: C3H4Cl2N2S Molecular Weight (g/mol): 171.04 MDL Number: MFCD00039006 InChI Key: GTMGFQYVLSQTKP-UHFFFAOYSA-N Synonym: 2-amino-5-chlorothiazole hydrochloride,5-chlorothiazol-2-amine hydrochloride,5-chloro-1,3-thiazol-2-amine hydrochloride,2-thiazolamine, 5-chloro-, monohydrochloride,5-chloro-2-thiazolamine hydrochloride,2-amino-5-chloro-1,3-thiazole hydrochloride,5-chlorothiazolamine hydrochloride,thiazole, 2-amino-5-chloro-hydrochloride,pubchem23694,c3h3cln2s.hcl PubChem CID: 148743 IUPAC Name: 5-chloro-1,3-thiazol-2-amine;hydrochloride SMILES: [H+].[Cl-].NC1=NC=C(Cl)S1

PubChem CID 148743
CAS 55506-37-1
Molecular Weight (g/mol) 171.04
MDL Number MFCD00039006
SMILES [H+].[Cl-].NC1=NC=C(Cl)S1
Synonym 2-amino-5-chlorothiazole hydrochloride,5-chlorothiazol-2-amine hydrochloride,5-chloro-1,3-thiazol-2-amine hydrochloride,2-thiazolamine, 5-chloro-, monohydrochloride,5-chloro-2-thiazolamine hydrochloride,2-amino-5-chloro-1,3-thiazole hydrochloride,5-chlorothiazolamine hydrochloride,thiazole, 2-amino-5-chloro-hydrochloride,pubchem23694,c3h3cln2s.hcl
IUPAC Name 5-chloro-1,3-thiazol-2-amine;hydrochloride
InChI Key GTMGFQYVLSQTKP-UHFFFAOYSA-N
Molecular Formula C3H4Cl2N2S
9

2-Methyl-2-phenylpropylmagnesium chloride, 0.5M solution in diethyl ether, AcroSeal™

CAS: 35293-35-7 Molecular Formula: C10H13ClMg Molecular Weight (g/mol): 192.97 MDL Number: MFCD00075586 InChI Key: BXKYFONHSSFLKR-UHFFFAOYSA-M Synonym: neophylmagnesium chloride,chloro 2-methyl-2-phenylpropyl magnesium,magnesium, chloro 2-methyl-2-phenylpropyl,2-methyl-2-phenylpropylmagnesium chloride,2-methyl-2-phenylpropylmagnesium chloride solution,neophyl magnesium chloride,bxkyfonhssflkr-uhfffaoysa-m,2-methyl-2-phenylpropyl magnesium chloride,2-methyl-2-phenyl-propanyl magnesium chloride,2-methyl-2-phenylpropylmagnesium chloride solution, 0.5 m in diethyl ether PubChem CID: 118802 IUPAC Name: magnesium;2-methanidylpropan-2-ylbenzene;chloride SMILES: CC(C)(C[Mg]Cl)C1=CC=CC=C1

PubChem CID 118802
CAS 35293-35-7
Molecular Weight (g/mol) 192.97
MDL Number MFCD00075586
SMILES CC(C)(C[Mg]Cl)C1=CC=CC=C1
Synonym neophylmagnesium chloride,chloro 2-methyl-2-phenylpropyl magnesium,magnesium, chloro 2-methyl-2-phenylpropyl,2-methyl-2-phenylpropylmagnesium chloride,2-methyl-2-phenylpropylmagnesium chloride solution,neophyl magnesium chloride,bxkyfonhssflkr-uhfffaoysa-m,2-methyl-2-phenylpropyl magnesium chloride,2-methyl-2-phenyl-propanyl magnesium chloride,2-methyl-2-phenylpropylmagnesium chloride solution, 0.5 m in diethyl ether
IUPAC Name magnesium;2-methanidylpropan-2-ylbenzene;chloride
InChI Key BXKYFONHSSFLKR-UHFFFAOYSA-M
Molecular Formula C10H13ClMg
10

Ethyl 2-bromothiazole-5-carboxylate, 98%

CAS: 41731-83-3 Molecular Formula: C6H6BrNO2S Molecular Weight (g/mol): 236.08 MDL Number: MFCD00463837 InChI Key: KTYIFXLNIMPSKI-UHFFFAOYSA-N PubChem CID: 3614103 IUPAC Name: ethyl 2-bromo-1,3-thiazole-5-carboxylate SMILES: CCOC(=O)C1=CN=C(Br)S1

PubChem CID 3614103
CAS 41731-83-3
Molecular Weight (g/mol) 236.08
MDL Number MFCD00463837
SMILES CCOC(=O)C1=CN=C(Br)S1
IUPAC Name ethyl 2-bromo-1,3-thiazole-5-carboxylate
InChI Key KTYIFXLNIMPSKI-UHFFFAOYSA-N
Molecular Formula C6H6BrNO2S
11

1-dodecylimidazole, 97%

CAS: 4303-67-7 Molecular Formula: C15H28N2 Molecular Weight (g/mol): 236.40 MDL Number: MFCD00278859 InChI Key: JMTFLSQHQSFNTE-UHFFFAOYSA-N Synonym: 1-dodecyl-1h-imidazole,n-dodecylimidazole,1h-imidazole, 1-dodecyl,n-laurylimidazole,imidazole, 1-dodecyl,1-laurylimidazole,unii-q11nxv80s7,1-dodecyl-1h-imidazol,n-dodecyl imidazole,pubchem20091 PubChem CID: 78002 IUPAC Name: 1-dodecylimidazole SMILES: CCCCCCCCCCCCN1C=CN=C1

PubChem CID 78002
CAS 4303-67-7
Molecular Weight (g/mol) 236.40
MDL Number MFCD00278859
SMILES CCCCCCCCCCCCN1C=CN=C1
Synonym 1-dodecyl-1h-imidazole,n-dodecylimidazole,1h-imidazole, 1-dodecyl,n-laurylimidazole,imidazole, 1-dodecyl,1-laurylimidazole,unii-q11nxv80s7,1-dodecyl-1h-imidazol,n-dodecyl imidazole,pubchem20091
IUPAC Name 1-dodecylimidazole
InChI Key JMTFLSQHQSFNTE-UHFFFAOYSA-N
Molecular Formula C15H28N2
12

4-Methyl-5-vinylthiazole, 98+%

CAS: 1759-28-0 Molecular Formula: C6H7NS Molecular Weight (g/mol): 125.19 MDL Number: MFCD00005337 InChI Key: QUAMMXIRDIIGDJ-UHFFFAOYSA-N Synonym: 4-methyl-5-vinylthiazole,thiazole, 5-ethenyl-4-methyl,4-methyl-5-vinyl thiazole,5-ethenyl-4-methylthiazole,thiazole, 4-methyl-5-vinyl,vinylsulfurol,vinyl sulfurol,fema no. 3313,5-vinyl-4-methylthiazole,4-methyl-5-vinyl-thiazole PubChem CID: 15654 IUPAC Name: 5-ethenyl-4-methyl-1,3-thiazole SMILES: CC1=C(SC=N1)C=C

PubChem CID 15654
CAS 1759-28-0
Molecular Weight (g/mol) 125.19
MDL Number MFCD00005337
SMILES CC1=C(SC=N1)C=C
Synonym 4-methyl-5-vinylthiazole,thiazole, 5-ethenyl-4-methyl,4-methyl-5-vinyl thiazole,5-ethenyl-4-methylthiazole,thiazole, 4-methyl-5-vinyl,vinylsulfurol,vinyl sulfurol,fema no. 3313,5-vinyl-4-methylthiazole,4-methyl-5-vinyl-thiazole
IUPAC Name 5-ethenyl-4-methyl-1,3-thiazole
InChI Key QUAMMXIRDIIGDJ-UHFFFAOYSA-N
Molecular Formula C6H7NS
13

1-(trans-Cinnamoyl)imidazole, 98%, Thermo Scientific Chemicals

CAS: 1138-15-4 Molecular Formula: C12H10N2O Molecular Weight (g/mol): 198.225 MDL Number: MFCD00005288 InChI Key: XVGXMXZUJNAGFZ-VOTSOKGWSA-N Synonym: n-trans-cinnamoylimidazole,trans-cinnamoylimidazole,imidazole, 1-cinnamoyl-, e,imidazole, 1-cinnamoyl-, trans,imidazole, trans,1-trans-cinnamoyl imidazole,imidazole, e,e-1-1h-imidazol-1-yl-3-phenylprop-2-en-1-one,1h-imidazole, e,2e-1-imidazolyl-3-phenylprop-2-en-1-one PubChem CID: 5357650 IUPAC Name: (E)-1-imidazol-1-yl-3-phenylprop-2-en-1-one SMILES: C1=CC=C(C=C1)C=CC(=O)N2C=CN=C2

PubChem CID 5357650
CAS 1138-15-4
Molecular Weight (g/mol) 198.225
MDL Number MFCD00005288
SMILES C1=CC=C(C=C1)C=CC(=O)N2C=CN=C2
Synonym n-trans-cinnamoylimidazole,trans-cinnamoylimidazole,imidazole, 1-cinnamoyl-, e,imidazole, 1-cinnamoyl-, trans,imidazole, trans,1-trans-cinnamoyl imidazole,imidazole, e,e-1-1h-imidazol-1-yl-3-phenylprop-2-en-1-one,1h-imidazole, e,2e-1-imidazolyl-3-phenylprop-2-en-1-one
IUPAC Name (E)-1-imidazol-1-yl-3-phenylprop-2-en-1-one
InChI Key XVGXMXZUJNAGFZ-VOTSOKGWSA-N
Molecular Formula C12H10N2O
14

2,4-Dibromothiazole, 97%

CAS: 4175-77-3 Molecular Formula: C3HBr2NS Molecular Weight (g/mol): 242.916 MDL Number: MFCD01318994 InChI Key: MKEJZKKVVUZXIS-UHFFFAOYSA-N Synonym: 2,4-dibromothiazole,2,4-dibromo thiazole,dibromothiazole,2.4-dibromothiazole,soxlllqacqdfwmijp@,2,4-dibromo-thiazole,acmc-209jll,ksc235o5d,2 pound not4-dibromo-thiazole PubChem CID: 2763297 IUPAC Name: 2,4-dibromo-1,3-thiazole SMILES: C1=C(N=C(S1)Br)Br

PubChem CID 2763297
CAS 4175-77-3
Molecular Weight (g/mol) 242.916
MDL Number MFCD01318994
SMILES C1=C(N=C(S1)Br)Br
Synonym 2,4-dibromothiazole,2,4-dibromo thiazole,dibromothiazole,2.4-dibromothiazole,soxlllqacqdfwmijp@,2,4-dibromo-thiazole,acmc-209jll,ksc235o5d,2 pound not4-dibromo-thiazole
IUPAC Name 2,4-dibromo-1,3-thiazole
InChI Key MKEJZKKVVUZXIS-UHFFFAOYSA-N
Molecular Formula C3HBr2NS
15

N,N'-Di-Boc-1H-pyrazole-1-carboxamidine, 98+%

CAS: 152120-54-2 Molecular Formula: C14H22N4O4 Molecular Weight (g/mol): 310.354 MDL Number: MFCD01075122 InChI Key: QFNFDHNZVTWZED-UHFFFAOYSA-N Synonym: n,n'-di-boc-1h-pyrazole-1-carboxamidine,bis-boc-pyrazolocarboxamidine,pyrazol boc 2,n,n-bis-boc-1-guanylpyrazole,n,n'-bis-boc-1-guanylpyrazol,n,n'-bis-boc-1-guanylpyrazole,n,n'-bisboc-pyrazole-1-carboximidamide,tert-butyl tert-butoxycarbonyl amino 1h-pyrazol-1-yl methylene carbamate,tert-butyl boc-amino 1h-pyrazol-1-yl methylene carbamate,1-n,n'-di-boc amidino pyrazole PubChem CID: 6383521 IUPAC Name: tert-butyl (NZ)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-pyrazol-1-ylmethylidene]carbamate SMILES: CC(C)(C)OC(=O)NC(=NC(=O)OC(C)(C)C)N1C=CC=N1

PubChem CID 6383521
CAS 152120-54-2
Molecular Weight (g/mol) 310.354
MDL Number MFCD01075122
SMILES CC(C)(C)OC(=O)NC(=NC(=O)OC(C)(C)C)N1C=CC=N1
Synonym n,n'-di-boc-1h-pyrazole-1-carboxamidine,bis-boc-pyrazolocarboxamidine,pyrazol boc 2,n,n-bis-boc-1-guanylpyrazole,n,n'-bis-boc-1-guanylpyrazol,n,n'-bis-boc-1-guanylpyrazole,n,n'-bisboc-pyrazole-1-carboximidamide,tert-butyl tert-butoxycarbonyl amino 1h-pyrazol-1-yl methylene carbamate,tert-butyl boc-amino 1h-pyrazol-1-yl methylene carbamate,1-n,n'-di-boc amidino pyrazole
IUPAC Name tert-butyl (NZ)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-pyrazol-1-ylmethylidene]carbamate
InChI Key QFNFDHNZVTWZED-UHFFFAOYSA-N
Molecular Formula C14H22N4O4