N-(4-methoxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-carboxamide

C15H12N2O4 — CID 110766402

IUPACN-(4-methoxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3[nH]c(=O)oc3c2)cc1
InChIInChI=1S/C15H12N2O4/c1-20-11-5-3-10(4-6-11)16-14(18)9-2-7-12-13(8-9)21-15(19)17-12/h2-8H,1H3,(H,16,18)(H,17,19)
InChIKeyNOVXUZHJEAWNMT-UHFFFAOYSA-N
MW284.27 g/mol
LogP2.38
Rot. Bonds3

About N-(4-methoxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-carboxamide

N-(4-methoxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-carboxamide (PubChem CID 110766402) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-carboxamide
PubChem CID110766402
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC NameN-(4-methoxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3[nH]c(=O)oc3c2)cc1
InChIInChI=1S/C15H12N2O4/c1-20-11-5-3-10(4-6-11)16-14(18)9-2-7-12-13(8-9)21-15(19)17-12/h2-8H,1H3,(H,16,18)(H,17,19)
InChIKeyNOVXUZHJEAWNMT-UHFFFAOYSA-N
XLogP2.38
TPSA84.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-methoxybenzoyl)-3H-1,3-benzoxazol-2-one
CID 3059536
methyl 3-[(2-oxo-3H-1,3-benzoxazole-6-carbonyl)amino]benzoate
CID 110766421
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-1H-indole-5-carboxamide
CID 112523027
4-bromo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzamide
CID 50797084
3-methoxy-4-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 134019844
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3H-benzimidazole-5-carboxamide
CID 110662054
N-(4-methoxyphenyl)-4-methyl-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]pentanamide
CID 20949427
N-(4-methoxyphenyl)-2-propan-2-yl-1,3-benzoxazole-6-carboxamide
CID 53089495
4-methoxy-3-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 110607906
4-benzamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38468547
6-methoxy-N-[4-(4-methoxyphenyl)phenyl]naphthalene-2-carboxamide
CID 57392645
4-(difluoromethoxy)-3-methoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38465227

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-carboxamide (CID 110766402) is N-(4-methoxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-carboxamide is COc1ccc(NC(=O)c2ccc3[nH]c(=O)oc3c2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-carboxamide?
The InChIKey is NOVXUZHJEAWNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4/c1-20-11-5-3-10(4-6-11)16-14(18)9-2-7-12-13(8-9)21-15(19)17-12/h2-8H,1H3,(H,16,18)(H,17,19).
What are the key properties of N-(4-methoxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-carboxamide?
N-(4-methoxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-carboxamide has a molecular weight of 284.27 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 110766402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).