3-benzyl-2-oxo-N-propan-2-yl-1,3-benzoxazole-5-carboxamide

C18H18N2O3 — CID 53067044

IUPAC3-benzyl-2-oxo-N-propan-2-yl-1,3-benzoxazole-5-carboxamide
SMILESCC(C)NC(=O)c1ccc2oc(=O)n(Cc3ccccc3)c2c1
InChIInChI=1S/C18H18N2O3/c1-12(2)19-17(21)14-8-9-16-15(10-14)20(18(22)23-16)11-13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H,19,21)
InChIKeyFLELQPVBVOOLCQ-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.78
Rot. Bonds4

About 3-benzyl-2-oxo-N-propan-2-yl-1,3-benzoxazole-5-carboxamide

3-benzyl-2-oxo-N-propan-2-yl-1,3-benzoxazole-5-carboxamide (PubChem CID 53067044) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 3-benzyl-2-oxo-N-propan-2-yl-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name3-benzyl-2-oxo-N-propan-2-yl-1,3-benzoxazole-5-carboxamide
PubChem CID53067044
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name3-benzyl-2-oxo-N-propan-2-yl-1,3-benzoxazole-5-carboxamide
SMILESCC(C)NC(=O)c1ccc2oc(=O)n(Cc3ccccc3)c2c1
InChIInChI=1S/C18H18N2O3/c1-12(2)19-17(21)14-8-9-16-15(10-14)20(18(22)23-16)11-13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H,19,21)
InChIKeyFLELQPVBVOOLCQ-UHFFFAOYSA-N
XLogP2.78
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-benzyl-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-[(4-methylphenyl)methyl]-2-oxo-N-propan-2-yl-1,3-benzoxazole-5-carboxamide
CID 53067237
3-benzyl-N-(2-methoxyethyl)-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067053
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-(3-acetylphenyl)-3-benzyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067051
3-benzyl-N-(2,5-dimethoxyphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067046
N-(2-ethylphenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067081
5-acetyl-3-[(3-methoxyphenyl)methyl]-1,3-benzoxazol-2-one
CID 123238887
3-[(4-methylphenyl)methyl]-2-oxo-N-prop-2-enyl-1,3-benzoxazole-5-carboxamide
CID 53067252
N-benzyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 110683274
ethyl 1-(3-benzyl-2-oxo-1,3-benzoxazole-5-carbonyl)piperidine-4-carboxylate
CID 20955907
N-(3-acetylphenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067106

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-oxo-N-propan-2-yl-1,3-benzoxazole-5-carboxamide?
The IUPAC name of 3-benzyl-2-oxo-N-propan-2-yl-1,3-benzoxazole-5-carboxamide (CID 53067044) is 3-benzyl-2-oxo-N-propan-2-yl-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for 3-benzyl-2-oxo-N-propan-2-yl-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for 3-benzyl-2-oxo-N-propan-2-yl-1,3-benzoxazole-5-carboxamide is CC(C)NC(=O)c1ccc2oc(=O)n(Cc3ccccc3)c2c1.
What is the InChIKey of 3-benzyl-2-oxo-N-propan-2-yl-1,3-benzoxazole-5-carboxamide?
The InChIKey is FLELQPVBVOOLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-12(2)19-17(21)14-8-9-16-15(10-14)20(18(22)23-16)11-13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H,19,21).
What are the key properties of 3-benzyl-2-oxo-N-propan-2-yl-1,3-benzoxazole-5-carboxamide?
3-benzyl-2-oxo-N-propan-2-yl-1,3-benzoxazole-5-carboxamide has a molecular weight of 310.35 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-oxo-N-propan-2-yl-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 53067044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).