2-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,3-oxazol-5-one

C17H15NO4 — CID 102288044

IUPAC2-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,3-oxazol-5-one
SMILESCOc1cc(OC)cc(C2=NC(c3ccccc3)C(=O)O2)c1
InChIInChI=1S/C17H15NO4/c1-20-13-8-12(9-14(10-13)21-2)16-18-15(17(19)22-16)11-6-4-3-5-7-11/h3-10,15H,1-2H3
InChIKeyXKFKMNDBMZLTBW-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.75
Rot. Bonds4

About 2-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,3-oxazol-5-one

2-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,3-oxazol-5-one (PubChem CID 102288044) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,3-oxazol-5-one
PubChem CID102288044
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name2-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,3-oxazol-5-one
SMILESCOc1cc(OC)cc(C2=NC(c3ccccc3)C(=O)O2)c1
InChIInChI=1S/C17H15NO4/c1-20-13-8-12(9-14(10-13)21-2)16-18-15(17(19)22-16)11-6-4-3-5-7-11/h3-10,15H,1-2H3
InChIKeyXKFKMNDBMZLTBW-UHFFFAOYSA-N
XLogP2.75
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,3-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 2-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,3-oxazol-5-one?
The IUPAC name of 2-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,3-oxazol-5-one (CID 102288044) is 2-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,3-oxazol-5-one.
What is the SMILES notation for 2-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,3-oxazol-5-one?
The canonical SMILES for 2-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,3-oxazol-5-one is COc1cc(OC)cc(C2=NC(c3ccccc3)C(=O)O2)c1.
What is the InChIKey of 2-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,3-oxazol-5-one?
The InChIKey is XKFKMNDBMZLTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-20-13-8-12(9-14(10-13)21-2)16-18-15(17(19)22-16)11-6-4-3-5-7-11/h3-10,15H,1-2H3.
What are the key properties of 2-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,3-oxazol-5-one?
2-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,3-oxazol-5-one has a molecular weight of 297.31 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,3-oxazol-5-one is sourced from PubChem (CID 102288044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).