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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)
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1 – 15 of 832 results
1

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
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

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
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

1,2-Dimethylimidazole, 98%

CAS: 1739-84-0 Molecular Formula: C5H8N2 Molecular Weight (g/mol): 96.13 MDL Number: MFCD00005294 InChI Key: GIWQSPITLQVMSG-UHFFFAOYSA-N Synonym: 1,2-dimethyl-1h-imidazole,1h-imidazole, 1,2-dimethyl,imidazole, 1,2-dimethyl,1h-imidazole, dimethyl,unii-q41bc3grjb,q41bc3grjb,lupragen r dmi,1,2-dimethylimdazole,1,2 dimethylimidazole,n,2-dimethylimidazole PubChem CID: 15617 IUPAC Name: 1,2-dimethylimidazole SMILES: CN1C=CN=C1C

PubChem CID 15617
CAS 1739-84-0
Molecular Weight (g/mol) 96.13
MDL Number MFCD00005294
SMILES CN1C=CN=C1C
Synonym 1,2-dimethyl-1h-imidazole,1h-imidazole, 1,2-dimethyl,imidazole, 1,2-dimethyl,1h-imidazole, dimethyl,unii-q41bc3grjb,q41bc3grjb,lupragen r dmi,1,2-dimethylimdazole,1,2 dimethylimidazole,n,2-dimethylimidazole
IUPAC Name 1,2-dimethylimidazole
InChI Key GIWQSPITLQVMSG-UHFFFAOYSA-N
Molecular Formula C5H8N2
6

1-n-Hexyl-3-methylimidazolium trifluoromethanesulfonate, 95%, Thermo Scientific™

CAS: 460345-16-8 Molecular Formula: C11H19F3N2O3S Molecular Weight (g/mol): 316.339 MDL Number: MFCD03427621 InChI Key: RABFGPMWVQNDHI-UHFFFAOYSA-M Synonym: 1-hexyl-3-methylimidazolium trifluoromethanesulfonate,1-hexyl-3-methylimidazolium trifluoromethansulfonate,1-hexyl-3-methylimidazolium triflate,hmim otf,dsstox_cid_27847,dsstox_rid_82600,dsstox_gsid_47871,ksc491c7h,1-hexyl-3-methylimidazoliumtrifluoromethansulfonate,1-hexyl-3-methyl-imidazol-3-ium; trifluoromethanesulfonate PubChem CID: 2734247 IUPAC Name: 1-hexyl-3-methylimidazol-3-ium;trifluoromethanesulfonate SMILES: CCCCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[O-]

PubChem CID 2734247
CAS 460345-16-8
Molecular Weight (g/mol) 316.339
MDL Number MFCD03427621
SMILES CCCCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[O-]
Synonym 1-hexyl-3-methylimidazolium trifluoromethanesulfonate,1-hexyl-3-methylimidazolium trifluoromethansulfonate,1-hexyl-3-methylimidazolium triflate,hmim otf,dsstox_cid_27847,dsstox_rid_82600,dsstox_gsid_47871,ksc491c7h,1-hexyl-3-methylimidazoliumtrifluoromethansulfonate,1-hexyl-3-methyl-imidazol-3-ium; trifluoromethanesulfonate
IUPAC Name 1-hexyl-3-methylimidazol-3-ium;trifluoromethanesulfonate
InChI Key RABFGPMWVQNDHI-UHFFFAOYSA-M
Molecular Formula C11H19F3N2O3S
7

1-Ethyl-3-methylimidazolium acetate, 97%

CAS: 143314-17-4 Molecular Formula: C8H14N2O2 Molecular Weight (g/mol): 170.212 MDL Number: MFCD06798186 InChI Key: XIYUIMLQTKODPS-UHFFFAOYSA-M Synonym: 1-ethyl-3-methylimidazolium acetate,basionic tm bc 01,emim ac,1-ethyl-3-methylimidazoliumacetate,basionics™ bc 01,acmc-1c26d,1h-imidazolium, 3-ethyl-1-methyl-, acetate 1:1,1-methyl-3-ethylimidazolium acetate,1-ethyl-3-methylimidazolium acetate hplc PubChem CID: 11658353 IUPAC Name: 1-ethyl-3-methylimidazol-3-ium;acetate SMILES: CCN1C=C[N+](=C1)C.CC(=O)[O-]

PubChem CID 11658353
CAS 143314-17-4
Molecular Weight (g/mol) 170.212
MDL Number MFCD06798186
SMILES CCN1C=C[N+](=C1)C.CC(=O)[O-]
Synonym 1-ethyl-3-methylimidazolium acetate,basionic tm bc 01,emim ac,1-ethyl-3-methylimidazoliumacetate,basionics™ bc 01,acmc-1c26d,1h-imidazolium, 3-ethyl-1-methyl-, acetate 1:1,1-methyl-3-ethylimidazolium acetate,1-ethyl-3-methylimidazolium acetate hplc
IUPAC Name 1-ethyl-3-methylimidazol-3-ium;acetate
InChI Key XIYUIMLQTKODPS-UHFFFAOYSA-M
Molecular Formula C8H14N2O2
8

1-Ethyl-3-methylimidazolium iodide, 97%

CAS: 35935-34-3 Molecular Formula: C6H11IN2 Molecular Weight (g/mol): 238.07 MDL Number: MFCD03701101 InChI Key: IKQCDTXBZKMPBB-UHFFFAOYSA-M Synonym: 1-ethyl-3-methylimidazolium iodide,1-ethyl-3-methylimidazoliumiodide,1-ethyl-3-methyl-1h-imidazol-3-ium iodide,acmc-209ik2,dsstox_cid_29137,dsstox_rid_83356,dsstox_gsid_49281,ksc495i0n,1-ethyl-3-methyl imidazolium iodide salt PubChem CID: 11075478 IUPAC Name: 1-ethyl-3-methylimidazol-3-ium;iodide SMILES: [I-].CCN1C=C[N+](C)=C1

PubChem CID 11075478
CAS 35935-34-3
Molecular Weight (g/mol) 238.07
MDL Number MFCD03701101
SMILES [I-].CCN1C=C[N+](C)=C1
Synonym 1-ethyl-3-methylimidazolium iodide,1-ethyl-3-methylimidazoliumiodide,1-ethyl-3-methyl-1h-imidazol-3-ium iodide,acmc-209ik2,dsstox_cid_29137,dsstox_rid_83356,dsstox_gsid_49281,ksc495i0n,1-ethyl-3-methyl imidazolium iodide salt
IUPAC Name 1-ethyl-3-methylimidazol-3-ium;iodide
InChI Key IKQCDTXBZKMPBB-UHFFFAOYSA-M
Molecular Formula C6H11IN2
9

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
10

1-Methyl-3-n-octylimidazolium chloride, 97%

CAS: 64697-40-1 Molecular Formula: C12H23ClN2 Molecular Weight (g/mol): 230.78 MDL Number: MFCD03095432 InChI Key: OXFBEEDAZHXDHB-UHFFFAOYSA-M Synonym: 1-methyl-3-n-octylimidazolium chloride,1-methyl-3-octylimidazolium chloride,1-octyl-3-methylimidazolium chloride,3-methyl-1-octylimidazolium chloride,omimcl,acmc-20aj1j,dsstox_cid_27849,dsstox_rid_82602,dsstox_gsid_47873,ksc491c7j PubChem CID: 2734223 ChEBI: CHEBI:61342 IUPAC Name: 1-methyl-3-octylimidazol-1-ium;chloride SMILES: [Cl-].CCCCCCCCN1C=C[N+](C)=C1

PubChem CID 2734223
CAS 64697-40-1
Molecular Weight (g/mol) 230.78
ChEBI CHEBI:61342
MDL Number MFCD03095432
SMILES [Cl-].CCCCCCCCN1C=C[N+](C)=C1
Synonym 1-methyl-3-n-octylimidazolium chloride,1-methyl-3-octylimidazolium chloride,1-octyl-3-methylimidazolium chloride,3-methyl-1-octylimidazolium chloride,omimcl,acmc-20aj1j,dsstox_cid_27849,dsstox_rid_82602,dsstox_gsid_47873,ksc491c7j
IUPAC Name 1-methyl-3-octylimidazol-1-ium;chloride
InChI Key OXFBEEDAZHXDHB-UHFFFAOYSA-M
Molecular Formula C12H23ClN2
11

Acycloguanosine, 98%

CAS: 59277-89-3 Molecular Formula: C8H11N5O3 Molecular Weight (g/mol): 225.21 MDL Number: MFCD00057880 InChI Key: MKUXAQIIEYXACX-UHFFFAOYSA-N Synonym: acyclovir,aciclovir,acycloguanosine,zovirax,vipral,virorax,wellcome-248u,9-2-hydroxyethoxy methyl guanine,zovir,aciclovirum PubChem CID: 2022 ChEBI: CHEBI:2453 IUPAC Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one SMILES: NC1=NC2=C(N=CN2COCCO)C(=O)N1

PubChem CID 2022
CAS 59277-89-3
Molecular Weight (g/mol) 225.21
ChEBI CHEBI:2453
MDL Number MFCD00057880
SMILES NC1=NC2=C(N=CN2COCCO)C(=O)N1
Synonym acyclovir,aciclovir,acycloguanosine,zovirax,vipral,virorax,wellcome-248u,9-2-hydroxyethoxy methyl guanine,zovir,aciclovirum
IUPAC Name 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one
InChI Key MKUXAQIIEYXACX-UHFFFAOYSA-N
Molecular Formula C8H11N5O3
12

3-Amino-5-bromo-1H-indazole, 97%, Thermo Scientific Chemicals

CAS: 61272-71-7 Molecular Formula: C7H6BrN3 Molecular Weight (g/mol): 212.05 MDL Number: MFCD03426696 InChI Key: OMPYFDJVSAMSMA-UHFFFAOYSA-N Synonym: 3-amino-5-bromo-1h-indazole,3-amino-5-bromoindazole,5-bromo-1h-indazol-3-ylamine,1h-indazol-3-amine, 5-bromo,5-bromo-1h-indazole-3-ylamine,pubchem18573,3-amino-5-bromo-indazole,acmc-1b3h9,5-bromo-1h-indazole-3-amine PubChem CID: 817910 IUPAC Name: 5-bromo-1H-indazol-3-amine SMILES: NC1=NNC2=CC=C(Br)C=C12

PubChem CID 817910
CAS 61272-71-7
Molecular Weight (g/mol) 212.05
MDL Number MFCD03426696
SMILES NC1=NNC2=CC=C(Br)C=C12
Synonym 3-amino-5-bromo-1h-indazole,3-amino-5-bromoindazole,5-bromo-1h-indazol-3-ylamine,1h-indazol-3-amine, 5-bromo,5-bromo-1h-indazole-3-ylamine,pubchem18573,3-amino-5-bromo-indazole,acmc-1b3h9,5-bromo-1h-indazole-3-amine
IUPAC Name 5-bromo-1H-indazol-3-amine
InChI Key OMPYFDJVSAMSMA-UHFFFAOYSA-N
Molecular Formula C7H6BrN3
13

5-Amino-1H-indazole, 98%

CAS: 19335-11-6 Molecular Formula: C7H7N3 Molecular Weight (g/mol): 133.154 MDL Number: MFCD00037975 InChI Key: XBTOSRUBOXQWBO-UHFFFAOYSA-N Synonym: 5-aminoindazole,5-amino-1h-indazole,2h-indazol-5-amine,5-indazolamine,1h-indazole-5-amine,1h-indazol-5-ylamine,indazol-5-ylamine,1h-indazole, 5-amino,5-aminobenzopyrazole,5-amino-indazole PubChem CID: 88012 IUPAC Name: 1H-indazol-5-amine SMILES: C1=CC2=C(C=C1N)C=NN2

PubChem CID 88012
CAS 19335-11-6
Molecular Weight (g/mol) 133.154
MDL Number MFCD00037975
SMILES C1=CC2=C(C=C1N)C=NN2
Synonym 5-aminoindazole,5-amino-1h-indazole,2h-indazol-5-amine,5-indazolamine,1h-indazole-5-amine,1h-indazol-5-ylamine,indazol-5-ylamine,1h-indazole, 5-amino,5-aminobenzopyrazole,5-amino-indazole
IUPAC Name 1H-indazol-5-amine
InChI Key XBTOSRUBOXQWBO-UHFFFAOYSA-N
Molecular Formula C7H7N3
14

1-Ethyl-2,3-dimethylimidazolium tetrafluoroborate, 98%, Thermo Scientific™

CAS: 307492-75-7 Molecular Formula: C7H13BF4N2 Molecular Weight (g/mol): 212.00 MDL Number: MFCD08458929 InChI Key: KNIWGPCMWBGRBE-UHFFFAOYSA-N Synonym: 1-ethyl-2,3-dimethylimidazolium tetrafluoroborate,1-ethyl-2,3-dimethyl-1h-imidazol-3-ium tetrafluoroborate,3-ethyl-1,2-dimethylimidazol-1-ium tetrafluoroborate,dsstox_cid_29122,dsstox_rid_83341,dsstox_gsid_49266,1-ethyl 2,3 dimethyl imidazolium tetrafluoroborate,1-ethyl-2,3-dimethylimidazol-1-ium tetrafluoroborate PubChem CID: 21977262 IUPAC Name: 1-ethyl-2,3-dimethyl-1H-imidazol-3-ium; tetrafluoroboranuide SMILES: F[B-](F)(F)F.CCN1C=C[N+](C)=C1C

PubChem CID 21977262
CAS 307492-75-7
Molecular Weight (g/mol) 212.00
MDL Number MFCD08458929
SMILES F[B-](F)(F)F.CCN1C=C[N+](C)=C1C
Synonym 1-ethyl-2,3-dimethylimidazolium tetrafluoroborate,1-ethyl-2,3-dimethyl-1h-imidazol-3-ium tetrafluoroborate,3-ethyl-1,2-dimethylimidazol-1-ium tetrafluoroborate,dsstox_cid_29122,dsstox_rid_83341,dsstox_gsid_49266,1-ethyl 2,3 dimethyl imidazolium tetrafluoroborate,1-ethyl-2,3-dimethylimidazol-1-ium tetrafluoroborate
IUPAC Name 1-ethyl-2,3-dimethyl-1H-imidazol-3-ium; tetrafluoroboranuide
InChI Key KNIWGPCMWBGRBE-UHFFFAOYSA-N
Molecular Formula C7H13BF4N2
15

4-(chloromethyl)-2-phenyl-1,3-thiazole, 97%, Thermo Scientific™

CAS: 4771-31-7 Molecular Formula: C10H8ClNS Molecular Weight (g/mol): 209.691 MDL Number: MFCD00723503 InChI Key: SVEGSFSFMLCNFF-UHFFFAOYSA-N Synonym: 4-chloromethyl-2-phenyl-1,3-thiazole,4-chloromethyl-2-phenylthiazole,thiazole, 4-chloromethyl-2-phenyl,2-phenyl-4-chloromethylthiazole,4-chloromethyl-2-phenyl-thiazole,2-phenyl-4-chloromethyl thiazole,enamine_002044,2-phenyl-4-chloromethyl-thiazole,2-phenyl-1,3-thiazol-4-ylmethyl chloride PubChem CID: 236969 IUPAC Name: 4-(chloromethyl)-2-phenyl-1,3-thiazole SMILES: C1=CC=C(C=C1)C2=NC(=CS2)CCl

PubChem CID 236969
CAS 4771-31-7
Molecular Weight (g/mol) 209.691
MDL Number MFCD00723503
SMILES C1=CC=C(C=C1)C2=NC(=CS2)CCl
Synonym 4-chloromethyl-2-phenyl-1,3-thiazole,4-chloromethyl-2-phenylthiazole,thiazole, 4-chloromethyl-2-phenyl,2-phenyl-4-chloromethylthiazole,4-chloromethyl-2-phenyl-thiazole,2-phenyl-4-chloromethyl thiazole,enamine_002044,2-phenyl-4-chloromethyl-thiazole,2-phenyl-1,3-thiazol-4-ylmethyl chloride
IUPAC Name 4-(chloromethyl)-2-phenyl-1,3-thiazole
InChI Key SVEGSFSFMLCNFF-UHFFFAOYSA-N
Molecular Formula C10H8ClNS