4-[(4-methoxyphenyl)methyl]-3-phenyl-2H-1,2-oxazol-5-one

C17H15NO3 — CID 13199482

IUPAC4-[(4-methoxyphenyl)methyl]-3-phenyl-2H-1,2-oxazol-5-one
SMILESCOc1ccc(Cc2c(-c3ccccc3)[nH]oc2=O)cc1
InChIInChI=1S/C17H15NO3/c1-20-14-9-7-12(8-10-14)11-15-16(18-21-17(15)19)13-5-3-2-4-6-13/h2-10,18H,11H2,1H3
InChIKeySIEBCTZNYNYVGB-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.23
Rot. Bonds4

About 4-[(4-methoxyphenyl)methyl]-3-phenyl-2H-1,2-oxazol-5-one

4-[(4-methoxyphenyl)methyl]-3-phenyl-2H-1,2-oxazol-5-one (PubChem CID 13199482) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methyl]-3-phenyl-2H-1,2-oxazol-5-one.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methyl]-3-phenyl-2H-1,2-oxazol-5-one
PubChem CID13199482
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name4-[(4-methoxyphenyl)methyl]-3-phenyl-2H-1,2-oxazol-5-one
SMILESCOc1ccc(Cc2c(-c3ccccc3)[nH]oc2=O)cc1
InChIInChI=1S/C17H15NO3/c1-20-14-9-7-12(8-10-14)11-15-16(18-21-17(15)19)13-5-3-2-4-6-13/h2-10,18H,11H2,1H3
InChIKeySIEBCTZNYNYVGB-UHFFFAOYSA-N
XLogP3.23
TPSA55.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(4-methoxyphenyl)methyl]-3-phenyl-2H-1,2-oxazol-5-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methyl]-3-phenyl-2H-1,2-oxazol-5-one?
The IUPAC name of 4-[(4-methoxyphenyl)methyl]-3-phenyl-2H-1,2-oxazol-5-one (CID 13199482) is 4-[(4-methoxyphenyl)methyl]-3-phenyl-2H-1,2-oxazol-5-one.
What is the SMILES notation for 4-[(4-methoxyphenyl)methyl]-3-phenyl-2H-1,2-oxazol-5-one?
The canonical SMILES for 4-[(4-methoxyphenyl)methyl]-3-phenyl-2H-1,2-oxazol-5-one is COc1ccc(Cc2c(-c3ccccc3)[nH]oc2=O)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methyl]-3-phenyl-2H-1,2-oxazol-5-one?
The InChIKey is SIEBCTZNYNYVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-20-14-9-7-12(8-10-14)11-15-16(18-21-17(15)19)13-5-3-2-4-6-13/h2-10,18H,11H2,1H3.
What are the key properties of 4-[(4-methoxyphenyl)methyl]-3-phenyl-2H-1,2-oxazol-5-one?
4-[(4-methoxyphenyl)methyl]-3-phenyl-2H-1,2-oxazol-5-one has a molecular weight of 281.31 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methyl]-3-phenyl-2H-1,2-oxazol-5-one is sourced from PubChem (CID 13199482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).