3-(2,3-dimethylbenzimidazol-5-yl)-1,2-oxazol-5-amine

C12H12N4O — CID 117328763

IUPAC3-(2,3-dimethylbenzimidazol-5-yl)-1,2-oxazol-5-amine
SMILESCc1nc2ccc(-c3cc(N)on3)cc2n1C
InChIInChI=1S/C12H12N4O/c1-7-14-9-4-3-8(5-11(9)16(7)2)10-6-12(13)17-15-10/h3-6H,13H2,1-2H3
InChIKeySKNSQZQPCOFJPO-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.12
Rot. Bonds1

About 3-(2,3-dimethylbenzimidazol-5-yl)-1,2-oxazol-5-amine

3-(2,3-dimethylbenzimidazol-5-yl)-1,2-oxazol-5-amine (PubChem CID 117328763) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is 3-(2,3-dimethylbenzimidazol-5-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2,3-dimethylbenzimidazol-5-yl)-1,2-oxazol-5-amine
PubChem CID117328763
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC Name3-(2,3-dimethylbenzimidazol-5-yl)-1,2-oxazol-5-amine
SMILESCc1nc2ccc(-c3cc(N)on3)cc2n1C
InChIInChI=1S/C12H12N4O/c1-7-14-9-4-3-8(5-11(9)16(7)2)10-6-12(13)17-15-10/h3-6H,13H2,1-2H3
InChIKeySKNSQZQPCOFJPO-UHFFFAOYSA-N
XLogP2.12
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-6-(3,5-dimethylisoxazol-4-yl)-1H-benzo[d]imidazol-4-amine
CID 86566737
(5,6-Dimethylbenzimidazol-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 798239
1-Oxo-N-(3-phenyl-1,2-oxazol-5-yl)-2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,2-a]benzimidazole-8-carboxamide
CID 68322670
2-(1-(2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl)-1H-1,3-benzodiazol-2-yl)ethan-1-amine dihydrochloride
CID 165589638
2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)benzimidazol-1-yl]-N,N-dimethylethanamine
CID 171352684
2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)benzimidazol-1-yl]-N,N-dimethylethanamine
CID 127035170
5-Isoxazolyl-benzimidazole
CID 67416475
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3H-benzimidazole-5-carboxamide
CID 40151582
3-(4-fluorophenyl)-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-1,2-oxazole-5-carboxamide
CID 46978173
2-(3-methylisoxazol-5-yl)-N-{[1-methyl-5-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl}acetamide
CID 91775262
4-(6-ethyl-1H-benzimidazol-2-yl)-3,5-dimethyl-1,2-oxazole
CID 97245792
4-((2-(3,5-Dimethylisoxazol-4-yl)-1H-benzo[d]imidazol-1-yl)methyl)-7,8-difluoroquinolin-2(1H)-one
CID 24784686

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylbenzimidazol-5-yl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(2,3-dimethylbenzimidazol-5-yl)-1,2-oxazol-5-amine (CID 117328763) is 3-(2,3-dimethylbenzimidazol-5-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2,3-dimethylbenzimidazol-5-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2,3-dimethylbenzimidazol-5-yl)-1,2-oxazol-5-amine is Cc1nc2ccc(-c3cc(N)on3)cc2n1C.
What is the InChIKey of 3-(2,3-dimethylbenzimidazol-5-yl)-1,2-oxazol-5-amine?
The InChIKey is SKNSQZQPCOFJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-7-14-9-4-3-8(5-11(9)16(7)2)10-6-12(13)17-15-10/h3-6H,13H2,1-2H3.
What are the key properties of 3-(2,3-dimethylbenzimidazol-5-yl)-1,2-oxazol-5-amine?
3-(2,3-dimethylbenzimidazol-5-yl)-1,2-oxazol-5-amine has a molecular weight of 228.25 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylbenzimidazol-5-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117328763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).