3-[(4-methylphenyl)methyl]-2-oxo-N-propan-2-yl-1,3-benzoxazole-5-carboxamide

C19H20N2O3 — CID 53067237

IUPAC3-[(4-methylphenyl)methyl]-2-oxo-N-propan-2-yl-1,3-benzoxazole-5-carboxamide
SMILESCc1ccc(Cn2c(=O)oc3ccc(C(=O)NC(C)C)cc32)cc1
InChIInChI=1S/C19H20N2O3/c1-12(2)20-18(22)15-8-9-17-16(10-15)21(19(23)24-17)11-14-6-4-13(3)5-7-14/h4-10,12H,11H2,1-3H3,(H,20,22)
InChIKeyNMHMWXBRCMAEGG-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.09
Rot. Bonds4

About 3-[(4-methylphenyl)methyl]-2-oxo-N-propan-2-yl-1,3-benzoxazole-5-carboxamide

3-[(4-methylphenyl)methyl]-2-oxo-N-propan-2-yl-1,3-benzoxazole-5-carboxamide (PubChem CID 53067237) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-[(4-methylphenyl)methyl]-2-oxo-N-propan-2-yl-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name3-[(4-methylphenyl)methyl]-2-oxo-N-propan-2-yl-1,3-benzoxazole-5-carboxamide
PubChem CID53067237
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name3-[(4-methylphenyl)methyl]-2-oxo-N-propan-2-yl-1,3-benzoxazole-5-carboxamide
SMILESCc1ccc(Cn2c(=O)oc3ccc(C(=O)NC(C)C)cc32)cc1
InChIInChI=1S/C19H20N2O3/c1-12(2)20-18(22)15-8-9-17-16(10-15)21(19(23)24-17)11-14-6-4-13(3)5-7-14/h4-10,12H,11H2,1-3H3,(H,20,22)
InChIKeyNMHMWXBRCMAEGG-UHFFFAOYSA-N
XLogP3.09
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(4-methylphenyl)methyl]-2-oxo-N-propan-2-yl-1,3-benzoxazole-5-carboxamide 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

3-benzyl-2-oxo-N-propan-2-yl-1,3-benzoxazole-5-carboxamide
CID 53067044
3-[(4-methylphenyl)methyl]-2-oxo-N-prop-2-enyl-1,3-benzoxazole-5-carboxamide
CID 53067252
3-benzyl-N-(3,5-dimethylphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067050
3-benzyl-N-(4-methoxyphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067029
N-(2-ethylphenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067081
N-(3-acetylphenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067106
N-(3-acetylphenyl)-3-benzyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067051
5-acetyl-3-[(3-methoxyphenyl)methyl]-1,3-benzoxazol-2-one
CID 123238887
3-[2-(cyclopropylamino)-2-oxoethyl]-N-(4-methylphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide
CID 50842111
N-(2,4-dimethylphenyl)-2-oxo-3-prop-2-enyl-1,3-benzoxazole-5-carboxamide
CID 53067289
N-benzyl-3-[(4-fluorophenyl)methyl]-N-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067072
1-benzyl-N-propan-2-yl-2-[4-(propan-2-ylcarbamoyl)phenyl]benzimidazole-5-carboxamide
CID 4915611

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)methyl]-2-oxo-N-propan-2-yl-1,3-benzoxazole-5-carboxamide?
The IUPAC name of 3-[(4-methylphenyl)methyl]-2-oxo-N-propan-2-yl-1,3-benzoxazole-5-carboxamide (CID 53067237) is 3-[(4-methylphenyl)methyl]-2-oxo-N-propan-2-yl-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for 3-[(4-methylphenyl)methyl]-2-oxo-N-propan-2-yl-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for 3-[(4-methylphenyl)methyl]-2-oxo-N-propan-2-yl-1,3-benzoxazole-5-carboxamide is Cc1ccc(Cn2c(=O)oc3ccc(C(=O)NC(C)C)cc32)cc1.
What is the InChIKey of 3-[(4-methylphenyl)methyl]-2-oxo-N-propan-2-yl-1,3-benzoxazole-5-carboxamide?
The InChIKey is NMHMWXBRCMAEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-12(2)20-18(22)15-8-9-17-16(10-15)21(19(23)24-17)11-14-6-4-13(3)5-7-14/h4-10,12H,11H2,1-3H3,(H,20,22).
What are the key properties of 3-[(4-methylphenyl)methyl]-2-oxo-N-propan-2-yl-1,3-benzoxazole-5-carboxamide?
3-[(4-methylphenyl)methyl]-2-oxo-N-propan-2-yl-1,3-benzoxazole-5-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)methyl]-2-oxo-N-propan-2-yl-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 53067237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).