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

C10H7NO2 — CID 66603048

IUPAC2-phenyl-1,3-oxazin-4-one
SMILESO=c1ccoc(-c2ccccc2)n1
InChIInChI=1S/C10H7NO2/c12-9-6-7-13-10(11-9)8-4-2-1-3-5-8/h1-7H
InChIKeyQVJNSZOIXCMTAH-UHFFFAOYSA-N
MW173.17 g/mol
LogP1.70
Rot. Bonds1

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

2-phenyl-1,3-oxazin-4-one (PubChem CID 66603048) has the molecular formula C10H7NO2 and a molecular weight of 173.17 g/mol. Its IUPAC name is 2-phenyl-1,3-oxazin-4-one.

Molecular Properties

Compound Name2-phenyl-1,3-oxazin-4-one
PubChem CID66603048
Molecular FormulaC10H7NO2
Molecular Weight173.17 g/mol
Exact Mass173.05
IUPAC Name2-phenyl-1,3-oxazin-4-one
SMILESO=c1ccoc(-c2ccccc2)n1
InChIInChI=1S/C10H7NO2/c12-9-6-7-13-10(11-9)8-4-2-1-3-5-8/h1-7H
InChIKeyQVJNSZOIXCMTAH-UHFFFAOYSA-N
XLogP1.70
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-phenyl-1,3-oxazin-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-oxazin-4-one?
The IUPAC name of 2-phenyl-1,3-oxazin-4-one (CID 66603048) is 2-phenyl-1,3-oxazin-4-one.
What is the SMILES notation for 2-phenyl-1,3-oxazin-4-one?
The canonical SMILES for 2-phenyl-1,3-oxazin-4-one is O=c1ccoc(-c2ccccc2)n1.
What is the InChIKey of 2-phenyl-1,3-oxazin-4-one?
The InChIKey is QVJNSZOIXCMTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2/c12-9-6-7-13-10(11-9)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 2-phenyl-1,3-oxazin-4-one?
2-phenyl-1,3-oxazin-4-one has a molecular weight of 173.17 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1,3-oxazin-4-one is sourced from PubChem (CID 66603048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).