2-phenyl-1,3-oxazol-4-one

C9H7NO2 — CID 6917403

IUPAC2-phenyl-1,3-oxazol-4-one
SMILESO=C1COC(c2ccccc2)=N1
InChIInChI=1S/C9H7NO2/c11-8-6-12-9(10-8)7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyMXSNMTWBFYVXEC-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.99
Rot. Bonds1

About 2-phenyl-1,3-oxazol-4-one

2-phenyl-1,3-oxazol-4-one (PubChem CID 6917403) has the molecular formula C9H7NO2 and a molecular weight of 161.16 g/mol. Its IUPAC name is 2-phenyl-1,3-oxazol-4-one.

Molecular Properties

Compound Name2-phenyl-1,3-oxazol-4-one
PubChem CID6917403
Molecular FormulaC9H7NO2
Molecular Weight161.16 g/mol
Exact Mass161.05
IUPAC Name2-phenyl-1,3-oxazol-4-one
SMILESO=C1COC(c2ccccc2)=N1
InChIInChI=1S/C9H7NO2/c11-8-6-12-9(10-8)7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyMXSNMTWBFYVXEC-UHFFFAOYSA-N
XLogP0.99
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-phenyl-1,3-oxazol-4-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-phenyl-1,3-oxazol-4-one?
The IUPAC name of 2-phenyl-1,3-oxazol-4-one (CID 6917403) is 2-phenyl-1,3-oxazol-4-one.
What is the SMILES notation for 2-phenyl-1,3-oxazol-4-one?
The canonical SMILES for 2-phenyl-1,3-oxazol-4-one is O=C1COC(c2ccccc2)=N1.
What is the InChIKey of 2-phenyl-1,3-oxazol-4-one?
The InChIKey is MXSNMTWBFYVXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2/c11-8-6-12-9(10-8)7-4-2-1-3-5-7/h1-5H,6H2.
What are the key properties of 2-phenyl-1,3-oxazol-4-one?
2-phenyl-1,3-oxazol-4-one has a molecular weight of 161.16 g/mol, XLogP of 0.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1,3-oxazol-4-one is sourced from PubChem (CID 6917403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).