N-(2-carbamoylphenyl)-2-oxo-3H-1,3-benzoxazole-5-carboxamide

C15H11N3O4 — CID 110678693

IUPACN-(2-carbamoylphenyl)-2-oxo-3H-1,3-benzoxazole-5-carboxamide
SMILESNC(=O)c1ccccc1NC(=O)c1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C15H11N3O4/c16-13(19)9-3-1-2-4-10(9)17-14(20)8-5-6-12-11(7-8)18-15(21)22-12/h1-7H,(H2,16,19)(H,17,20)(H,18,21)
InChIKeyVMFFAWNESFLYON-UHFFFAOYSA-N
MW297.27 g/mol
LogP1.47
Rot. Bonds3

About N-(2-carbamoylphenyl)-2-oxo-3H-1,3-benzoxazole-5-carboxamide

N-(2-carbamoylphenyl)-2-oxo-3H-1,3-benzoxazole-5-carboxamide (PubChem CID 110678693) has the molecular formula C15H11N3O4 and a molecular weight of 297.27 g/mol. Its IUPAC name is N-(2-carbamoylphenyl)-2-oxo-3H-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-carbamoylphenyl)-2-oxo-3H-1,3-benzoxazole-5-carboxamide
PubChem CID110678693
Molecular FormulaC15H11N3O4
Molecular Weight297.27 g/mol
Exact Mass297.07
IUPAC NameN-(2-carbamoylphenyl)-2-oxo-3H-1,3-benzoxazole-5-carboxamide
SMILESNC(=O)c1ccccc1NC(=O)c1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C15H11N3O4/c16-13(19)9-3-1-2-4-10(9)17-14(20)8-5-6-12-11(7-8)18-15(21)22-12/h1-7H,(H2,16,19)(H,17,20)(H,18,21)
InChIKeyVMFFAWNESFLYON-UHFFFAOYSA-N
XLogP1.47
TPSA118.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 71944310
4-benzamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38468547
2-[(4-hydroxybenzoyl)amino]benzamide
CID 110462650
N-(2-carbamoylphenyl)-2-methyl-3H-benzimidazole-5-carboxamide
CID 110692517
2-benzamidobenzamide
CID 702115
N-(2-carbamoylphenyl)-1,3-benzoxazole-6-carboxamide
CID 110765134
N-(2-carbamoylphenyl)-2-ethyl-3H-benzimidazole-5-carboxamide
CID 110765583
N-(2-carbamoylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 110761862
4-tert-butyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38466226
N-(2-bromophenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 110774064
N-(2-chlorophenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 110774027
N-(2-carbamoylphenyl)-4-ethoxy-3-methylbenzamide
CID 95970601

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoylphenyl)-2-oxo-3H-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N-(2-carbamoylphenyl)-2-oxo-3H-1,3-benzoxazole-5-carboxamide (CID 110678693) is N-(2-carbamoylphenyl)-2-oxo-3H-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N-(2-carbamoylphenyl)-2-oxo-3H-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N-(2-carbamoylphenyl)-2-oxo-3H-1,3-benzoxazole-5-carboxamide is NC(=O)c1ccccc1NC(=O)c1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of N-(2-carbamoylphenyl)-2-oxo-3H-1,3-benzoxazole-5-carboxamide?
The InChIKey is VMFFAWNESFLYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O4/c16-13(19)9-3-1-2-4-10(9)17-14(20)8-5-6-12-11(7-8)18-15(21)22-12/h1-7H,(H2,16,19)(H,17,20)(H,18,21).
What are the key properties of N-(2-carbamoylphenyl)-2-oxo-3H-1,3-benzoxazole-5-carboxamide?
N-(2-carbamoylphenyl)-2-oxo-3H-1,3-benzoxazole-5-carboxamide has a molecular weight of 297.27 g/mol, XLogP of 1.47, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoylphenyl)-2-oxo-3H-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 110678693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).