3-methyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzamide

C16H14N2O3 — CID 110786718

IUPAC3-methyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzamide
SMILESCc1cccc(C(=O)NCc2ccc3oc(=O)[nH]c3c2)c1
InChIInChI=1S/C16H14N2O3/c1-10-3-2-4-12(7-10)15(19)17-9-11-5-6-14-13(8-11)18-16(20)21-14/h2-8H,9H2,1H3,(H,17,19)(H,18,20)
InChIKeyBJAOUMNUSPBOQC-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.36
Rot. Bonds3

About 3-methyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzamide

3-methyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzamide (PubChem CID 110786718) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-methyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzamide
PubChem CID110786718
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name3-methyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzamide
SMILESCc1cccc(C(=O)NCc2ccc3oc(=O)[nH]c3c2)c1
InChIInChI=1S/C16H14N2O3/c1-10-3-2-4-12(7-10)15(19)17-9-11-5-6-14-13(8-11)18-16(20)21-14/h2-8H,9H2,1H3,(H,17,19)(H,18,20)
InChIKeyBJAOUMNUSPBOQC-UHFFFAOYSA-N
XLogP2.36
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-methylphenyl)methyl]-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 110390393
3,4-dichloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzamide
CID 110786732
3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 37091487
3-oxo-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]butanamide
CID 115176424
N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-2-phenylacetamide
CID 110786737
2-oxo-N-[(4-sulfamoylphenyl)methyl]-3H-1,3-benzoxazole-5-carboxamide
CID 110766627
N-(3-methylphenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 110774011
N-benzyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 110773952
N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide
CID 107231351
1-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-3-phenylurea
CID 110775568
N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]cyclopropanecarboxamide
CID 110786705
4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)methylamino]butanoic acid
CID 82501414

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzamide?
The IUPAC name of 3-methyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzamide (CID 110786718) is 3-methyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzamide.
What is the SMILES notation for 3-methyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzamide?
The canonical SMILES for 3-methyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzamide is Cc1cccc(C(=O)NCc2ccc3oc(=O)[nH]c3c2)c1.
What is the InChIKey of 3-methyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzamide?
The InChIKey is BJAOUMNUSPBOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-10-3-2-4-12(7-10)15(19)17-9-11-5-6-14-13(8-11)18-16(20)21-14/h2-8H,9H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 3-methyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzamide?
3-methyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzamide has a molecular weight of 282.30 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzamide is sourced from PubChem (CID 110786718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).