2,4-diphenyl-1,3-oxazin-6-one

C16H11NO2 — CID 691262

IUPAC2,4-diphenyl-1,3-oxazin-6-one
SMILESO=c1cc(-c2ccccc2)nc(-c2ccccc2)o1
InChIInChI=1S/C16H11NO2/c18-15-11-14(12-7-3-1-4-8-12)17-16(19-15)13-9-5-2-6-10-13/h1-11H
InChIKeyHGXBMFQXAJRXKB-UHFFFAOYSA-N
MW249.27 g/mol
LogP3.37
Rot. Bonds2

About 2,4-diphenyl-1,3-oxazin-6-one

2,4-diphenyl-1,3-oxazin-6-one (PubChem CID 691262) has the molecular formula C16H11NO2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2,4-diphenyl-1,3-oxazin-6-one.

Molecular Properties

Compound Name2,4-diphenyl-1,3-oxazin-6-one
PubChem CID691262
Molecular FormulaC16H11NO2
Molecular Weight249.27 g/mol
Exact Mass249.08
IUPAC Name2,4-diphenyl-1,3-oxazin-6-one
SMILESO=c1cc(-c2ccccc2)nc(-c2ccccc2)o1
InChIInChI=1S/C16H11NO2/c18-15-11-14(12-7-3-1-4-8-12)17-16(19-15)13-9-5-2-6-10-13/h1-11H
InChIKeyHGXBMFQXAJRXKB-UHFFFAOYSA-N
XLogP3.37
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-1,3-oxazin-6-one?
The IUPAC name of 2,4-diphenyl-1,3-oxazin-6-one (CID 691262) is 2,4-diphenyl-1,3-oxazin-6-one.
What is the SMILES notation for 2,4-diphenyl-1,3-oxazin-6-one?
The canonical SMILES for 2,4-diphenyl-1,3-oxazin-6-one is O=c1cc(-c2ccccc2)nc(-c2ccccc2)o1.
What is the InChIKey of 2,4-diphenyl-1,3-oxazin-6-one?
The InChIKey is HGXBMFQXAJRXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO2/c18-15-11-14(12-7-3-1-4-8-12)17-16(19-15)13-9-5-2-6-10-13/h1-11H.
What are the key properties of 2,4-diphenyl-1,3-oxazin-6-one?
2,4-diphenyl-1,3-oxazin-6-one has a molecular weight of 249.27 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-1,3-oxazin-6-one is sourced from PubChem (CID 691262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).