4-(1H-imidazol-5-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide

C17H12N4O3 — CID 166382068

IUPAC4-(1H-imidazol-5-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
SMILESO=C(Nc1ccc2oc(=O)[nH]c2c1)c1ccc(-c2cnc[nH]2)cc1
InChIInChI=1S/C17H12N4O3/c22-16(11-3-1-10(2-4-11)14-8-18-9-19-14)20-12-5-6-15-13(7-12)21-17(23)24-15/h1-9H,(H,18,19)(H,20,22)(H,21,23)
InChIKeyVPGMSANBVKNSTP-UHFFFAOYSA-N
MW320.31 g/mol
LogP2.76
Rot. Bonds3

About 4-(1H-imidazol-5-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide

4-(1H-imidazol-5-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide (PubChem CID 166382068) has the molecular formula C17H12N4O3 and a molecular weight of 320.31 g/mol. Its IUPAC name is 4-(1H-imidazol-5-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide.

Molecular Properties

Compound Name4-(1H-imidazol-5-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
PubChem CID166382068
Molecular FormulaC17H12N4O3
Molecular Weight320.31 g/mol
Exact Mass320.09
IUPAC Name4-(1H-imidazol-5-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
SMILESO=C(Nc1ccc2oc(=O)[nH]c2c1)c1ccc(-c2cnc[nH]2)cc1
InChIInChI=1S/C17H12N4O3/c22-16(11-3-1-10(2-4-11)14-8-18-9-19-14)20-12-5-6-15-13(7-12)21-17(23)24-15/h1-9H,(H,18,19)(H,20,22)(H,21,23)
InChIKeyVPGMSANBVKNSTP-UHFFFAOYSA-N
XLogP2.76
TPSA103.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38468547
4-tert-butyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38466226
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-pyrrol-1-ylbenzamide
CID 38467191
4-methylsulfanyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38466944
1-oxido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridin-1-ium-4-carboxamide
CID 38466723
3-bromo-4-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 110607962
3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 37091487
6-ethoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 87015454
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3H-benzimidazole-5-carboxamide
CID 110662054
3-methoxy-4-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 134019844
3-(3,4-dimethylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-1H-pyrazole-5-carboxamide
CID 136533875
3-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 37095710

Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-5-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide?
The IUPAC name of 4-(1H-imidazol-5-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide (CID 166382068) is 4-(1H-imidazol-5-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide.
What is the SMILES notation for 4-(1H-imidazol-5-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide?
The canonical SMILES for 4-(1H-imidazol-5-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide is O=C(Nc1ccc2oc(=O)[nH]c2c1)c1ccc(-c2cnc[nH]2)cc1.
What is the InChIKey of 4-(1H-imidazol-5-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide?
The InChIKey is VPGMSANBVKNSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O3/c22-16(11-3-1-10(2-4-11)14-8-18-9-19-14)20-12-5-6-15-13(7-12)21-17(23)24-15/h1-9H,(H,18,19)(H,20,22)(H,21,23).
What are the key properties of 4-(1H-imidazol-5-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide?
4-(1H-imidazol-5-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide has a molecular weight of 320.31 g/mol, XLogP of 2.76, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-5-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide is sourced from PubChem (CID 166382068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).