2,4,4-triphenyl-1,3-oxazol-5-one

C21H15NO2 — CID 680472

IUPAC2,4,4-triphenyl-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2)=NC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H15NO2/c23-20-21(17-12-6-2-7-13-17,18-14-8-3-9-15-18)22-19(24-20)16-10-4-1-5-11-16/h1-15H
InChIKeyFDCNXEHWJNKGOX-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.93
Rot. Bonds3

About 2,4,4-triphenyl-1,3-oxazol-5-one

2,4,4-triphenyl-1,3-oxazol-5-one (PubChem CID 680472) has the molecular formula C21H15NO2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2,4,4-triphenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name2,4,4-triphenyl-1,3-oxazol-5-one
PubChem CID680472
Molecular FormulaC21H15NO2
Molecular Weight313.36 g/mol
Exact Mass313.11
IUPAC Name2,4,4-triphenyl-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2)=NC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H15NO2/c23-20-21(17-12-6-2-7-13-17,18-14-8-3-9-15-18)22-19(24-20)16-10-4-1-5-11-16/h1-15H
InChIKeyFDCNXEHWJNKGOX-UHFFFAOYSA-N
XLogP3.93
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,4,4-triphenyl-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 2,4,4-triphenyl-1,3-oxazol-5-one?
The IUPAC name of 2,4,4-triphenyl-1,3-oxazol-5-one (CID 680472) is 2,4,4-triphenyl-1,3-oxazol-5-one.
What is the SMILES notation for 2,4,4-triphenyl-1,3-oxazol-5-one?
The canonical SMILES for 2,4,4-triphenyl-1,3-oxazol-5-one is O=C1OC(c2ccccc2)=NC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,4,4-triphenyl-1,3-oxazol-5-one?
The InChIKey is FDCNXEHWJNKGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO2/c23-20-21(17-12-6-2-7-13-17,18-14-8-3-9-15-18)22-19(24-20)16-10-4-1-5-11-16/h1-15H.
What are the key properties of 2,4,4-triphenyl-1,3-oxazol-5-one?
2,4,4-triphenyl-1,3-oxazol-5-one has a molecular weight of 313.36 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-triphenyl-1,3-oxazol-5-one is sourced from PubChem (CID 680472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).