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

C16H13NO2 — CID 25177993

IUPAC3,3-diphenyl-2H-1,4-oxazin-6-one
SMILESO=C1C=NC(c2ccccc2)(c2ccccc2)CO1
InChIInChI=1S/C16H13NO2/c18-15-11-17-16(12-19-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-11H,12H2
InChIKeyTYAMILIOPHQLMZ-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.56
Rot. Bonds2

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

3,3-diphenyl-2H-1,4-oxazin-6-one (PubChem CID 25177993) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 3,3-diphenyl-2H-1,4-oxazin-6-one.

Molecular Properties

Compound Name3,3-diphenyl-2H-1,4-oxazin-6-one
PubChem CID25177993
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name3,3-diphenyl-2H-1,4-oxazin-6-one
SMILESO=C1C=NC(c2ccccc2)(c2ccccc2)CO1
InChIInChI=1S/C16H13NO2/c18-15-11-17-16(12-19-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-11H,12H2
InChIKeyTYAMILIOPHQLMZ-UHFFFAOYSA-N
XLogP2.56
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-diphenyl-2H-1,4-oxazin-6-one?
The IUPAC name of 3,3-diphenyl-2H-1,4-oxazin-6-one (CID 25177993) is 3,3-diphenyl-2H-1,4-oxazin-6-one.
What is the SMILES notation for 3,3-diphenyl-2H-1,4-oxazin-6-one?
The canonical SMILES for 3,3-diphenyl-2H-1,4-oxazin-6-one is O=C1C=NC(c2ccccc2)(c2ccccc2)CO1.
What is the InChIKey of 3,3-diphenyl-2H-1,4-oxazin-6-one?
The InChIKey is TYAMILIOPHQLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c18-15-11-17-16(12-19-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-11H,12H2.
What are the key properties of 3,3-diphenyl-2H-1,4-oxazin-6-one?
3,3-diphenyl-2H-1,4-oxazin-6-one has a molecular weight of 251.29 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diphenyl-2H-1,4-oxazin-6-one is sourced from PubChem (CID 25177993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).