2-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-3H-benzimidazole-5-carboxamide

C14H14N4O2 — CID 110765610

IUPAC2-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-3H-benzimidazole-5-carboxamide
SMILESCCc1nc2ccc(C(=O)Nc3cc(C)on3)cc2[nH]1
InChIInChI=1S/C14H14N4O2/c1-3-12-15-10-5-4-9(7-11(10)16-12)14(19)17-13-6-8(2)20-18-13/h4-7H,3H2,1-2H3,(H,15,16)(H,17,18,19)
InChIKeyJZVHQZPGZTZIAQ-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.67
Rot. Bonds3

About 2-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-3H-benzimidazole-5-carboxamide

2-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-3H-benzimidazole-5-carboxamide (PubChem CID 110765610) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-3H-benzimidazole-5-carboxamide
PubChem CID110765610
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name2-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-3H-benzimidazole-5-carboxamide
SMILESCCc1nc2ccc(C(=O)Nc3cc(C)on3)cc2[nH]1
InChIInChI=1S/C14H14N4O2/c1-3-12-15-10-5-4-9(7-11(10)16-12)14(19)17-13-6-8(2)20-18-13/h4-7H,3H2,1-2H3,(H,15,16)(H,17,18,19)
InChIKeyJZVHQZPGZTZIAQ-UHFFFAOYSA-N
XLogP2.67
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide
CID 71689923
N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 569560
N-(2-carbamoylphenyl)-2-ethyl-3H-benzimidazole-5-carboxamide
CID 110765583
1-(2-ethyl-3H-benzimidazol-5-yl)propan-1-one
CID 39104518
2-ethyl-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide
CID 110765503
2-ethyl-N-(3-methoxypropyl)-3H-benzimidazole-5-carboxamide
CID 110765504
1-(2-ethyl-3H-benzimidazol-5-yl)-2-methylpropan-1-one
CID 82493033
2-ethyl-N-[2-(2-fluorophenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 110765535
1-N-butyl-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
CID 109051241
2-(2-methyl-3H-benzimidazol-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110772690
1-N-(5-methyl-1,2-oxazol-3-yl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050664
3-N-tert-butyl-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
CID 109056093

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-3H-benzimidazole-5-carboxamide (CID 110765610) is 2-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-3H-benzimidazole-5-carboxamide is CCc1nc2ccc(C(=O)Nc3cc(C)on3)cc2[nH]1.
What is the InChIKey of 2-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-3H-benzimidazole-5-carboxamide?
The InChIKey is JZVHQZPGZTZIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-3-12-15-10-5-4-9(7-11(10)16-12)14(19)17-13-6-8(2)20-18-13/h4-7H,3H2,1-2H3,(H,15,16)(H,17,18,19).
What are the key properties of 2-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-3H-benzimidazole-5-carboxamide?
2-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-3H-benzimidazole-5-carboxamide has a molecular weight of 270.29 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 110765610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).