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

C15H12N2O3 — CID 167437413

IUPACN-(4-methoxyphenyl)-1,2-benzoxazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2noc3ccccc23)cc1
InChIInChI=1S/C15H12N2O3/c1-19-11-8-6-10(7-9-11)16-15(18)14-12-4-2-3-5-13(12)20-17-14/h2-9H,1H3,(H,16,18)
InChIKeyZZMUAPXMNXWVOV-UHFFFAOYSA-N
MW268.27 g/mol
LogP3.09
Rot. Bonds3

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

N-(4-methoxyphenyl)-1,2-benzoxazole-3-carboxamide (PubChem CID 167437413) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1,2-benzoxazole-3-carboxamide
PubChem CID167437413
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC NameN-(4-methoxyphenyl)-1,2-benzoxazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2noc3ccccc23)cc1
InChIInChI=1S/C15H12N2O3/c1-19-11-8-6-10(7-9-11)16-15(18)14-12-4-2-3-5-13(12)20-17-14/h2-9H,1H3,(H,16,18)
InChIKeyZZMUAPXMNXWVOV-UHFFFAOYSA-N
XLogP3.09
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093725
5-(2-chlorophenyl)-N-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 1093858
N-(4-methoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093730
N-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093771
5-(3-methoxyphenyl)-N-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3494857
N-(2,4-difluorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3685908
N-cyclohexyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3686576
N-(2-ethylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 5016617
N-(3,4-dimethylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 5017077
N-1,3-benzodioxol-5-yl-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
CID 5085061
N-(4-methoxybenzyl)-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
CID 3242135
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-(2-methoxyphenyl)isoxazole-3-carboxamide
CID 3245828

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1,2-benzoxazole-3-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-1,2-benzoxazole-3-carboxamide (CID 167437413) is N-(4-methoxyphenyl)-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-1,2-benzoxazole-3-carboxamide is COc1ccc(NC(=O)c2noc3ccccc23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1,2-benzoxazole-3-carboxamide?
The InChIKey is ZZMUAPXMNXWVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-19-11-8-6-10(7-9-11)16-15(18)14-12-4-2-3-5-13(12)20-17-14/h2-9H,1H3,(H,16,18).
What are the key properties of N-(4-methoxyphenyl)-1,2-benzoxazole-3-carboxamide?
N-(4-methoxyphenyl)-1,2-benzoxazole-3-carboxamide has a molecular weight of 268.27 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 167437413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).