N-(2-carbamoylphenyl)-1,3-benzoxazole-6-carboxamide

C15H11N3O3 — CID 110765134

IUPACN-(2-carbamoylphenyl)-1,3-benzoxazole-6-carboxamide
SMILESNC(=O)c1ccccc1NC(=O)c1ccc2ncoc2c1
InChIInChI=1S/C15H11N3O3/c16-14(19)10-3-1-2-4-11(10)18-15(20)9-5-6-12-13(7-9)21-8-17-12/h1-8H,(H2,16,19)(H,18,20)
InChIKeyCPAFTCDVDBMQOI-UHFFFAOYSA-N
MW281.27 g/mol
LogP2.18
Rot. Bonds3

About N-(2-carbamoylphenyl)-1,3-benzoxazole-6-carboxamide

N-(2-carbamoylphenyl)-1,3-benzoxazole-6-carboxamide (PubChem CID 110765134) has the molecular formula C15H11N3O3 and a molecular weight of 281.27 g/mol. Its IUPAC name is N-(2-carbamoylphenyl)-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound NameN-(2-carbamoylphenyl)-1,3-benzoxazole-6-carboxamide
PubChem CID110765134
Molecular FormulaC15H11N3O3
Molecular Weight281.27 g/mol
Exact Mass281.08
IUPAC NameN-(2-carbamoylphenyl)-1,3-benzoxazole-6-carboxamide
SMILESNC(=O)c1ccccc1NC(=O)c1ccc2ncoc2c1
InChIInChI=1S/C15H11N3O3/c16-14(19)10-3-1-2-4-11(10)18-15(20)9-5-6-12-13(7-9)21-8-17-12/h1-8H,(H2,16,19)(H,18,20)
InChIKeyCPAFTCDVDBMQOI-UHFFFAOYSA-N
XLogP2.18
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzamidobenzamide
CID 702115
4-N-(2-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 71944310
2-[(4-hydroxybenzoyl)amino]benzamide
CID 110462650
N-(2-bromophenyl)-1,3-benzoxazole-5-carboxamide
CID 110388234
N-(2-carbamoylphenyl)-2-methyl-3H-benzimidazole-5-carboxamide
CID 110692517
N-(4-chloro-2,5-dimethoxyphenyl)-1,3-benzoxazole-6-carboxamide
CID 110765168
N-(2-carbamoylphenyl)-2-fluoropyridine-4-carboxamide
CID 60565205
N-(4-chlorophenyl)-1,3-benzoxazole-6-carboxamide
CID 110765115
2-[[4-(2-methoxyethoxy)benzoyl]amino]benzamide
CID 15943277
N-(2-carbamoylphenyl)-2-oxo-3H-1,3-benzoxazole-5-carboxamide
CID 110678693
[2-(2-methylanilino)-2-oxoethyl] 1,3-benzoxazole-6-carboxylate
CID 23999305
N-(2-carbamoylphenyl)-2-ethyl-3H-benzimidazole-5-carboxamide
CID 110765583

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoylphenyl)-1,3-benzoxazole-6-carboxamide?
The IUPAC name of N-(2-carbamoylphenyl)-1,3-benzoxazole-6-carboxamide (CID 110765134) is N-(2-carbamoylphenyl)-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for N-(2-carbamoylphenyl)-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for N-(2-carbamoylphenyl)-1,3-benzoxazole-6-carboxamide is NC(=O)c1ccccc1NC(=O)c1ccc2ncoc2c1.
What is the InChIKey of N-(2-carbamoylphenyl)-1,3-benzoxazole-6-carboxamide?
The InChIKey is CPAFTCDVDBMQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3/c16-14(19)10-3-1-2-4-11(10)18-15(20)9-5-6-12-13(7-9)21-8-17-12/h1-8H,(H2,16,19)(H,18,20).
What are the key properties of N-(2-carbamoylphenyl)-1,3-benzoxazole-6-carboxamide?
N-(2-carbamoylphenyl)-1,3-benzoxazole-6-carboxamide has a molecular weight of 281.27 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoylphenyl)-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 110765134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).