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

C23H15NO3 — CID 71390039

IUPAC5-benzoyl-2,4-diphenyl-1,3-oxazin-6-one
SMILESO=C(c1ccccc1)c1c(-c2ccccc2)nc(-c2ccccc2)oc1=O
InChIInChI=1S/C23H15NO3/c25-21(17-12-6-2-7-13-17)19-20(16-10-4-1-5-11-16)24-22(27-23(19)26)18-14-8-3-9-15-18/h1-15H
InChIKeyRQUURNRPFQKXFA-UHFFFAOYSA-N
MW353.38 g/mol
LogP4.60
Rot. Bonds4

About 5-benzoyl-2,4-diphenyl-1,3-oxazin-6-one

5-benzoyl-2,4-diphenyl-1,3-oxazin-6-one (PubChem CID 71390039) has the molecular formula C23H15NO3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 5-benzoyl-2,4-diphenyl-1,3-oxazin-6-one.

Molecular Properties

Compound Name5-benzoyl-2,4-diphenyl-1,3-oxazin-6-one
PubChem CID71390039
Molecular FormulaC23H15NO3
Molecular Weight353.38 g/mol
Exact Mass353.11
IUPAC Name5-benzoyl-2,4-diphenyl-1,3-oxazin-6-one
SMILESO=C(c1ccccc1)c1c(-c2ccccc2)nc(-c2ccccc2)oc1=O
InChIInChI=1S/C23H15NO3/c25-21(17-12-6-2-7-13-17)19-20(16-10-4-1-5-11-16)24-22(27-23(19)26)18-14-8-3-9-15-18/h1-15H
InChIKeyRQUURNRPFQKXFA-UHFFFAOYSA-N
XLogP4.60
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzoyl-2,4-diphenyl-1,3-oxazin-6-one?
The IUPAC name of 5-benzoyl-2,4-diphenyl-1,3-oxazin-6-one (CID 71390039) is 5-benzoyl-2,4-diphenyl-1,3-oxazin-6-one.
What is the SMILES notation for 5-benzoyl-2,4-diphenyl-1,3-oxazin-6-one?
The canonical SMILES for 5-benzoyl-2,4-diphenyl-1,3-oxazin-6-one is O=C(c1ccccc1)c1c(-c2ccccc2)nc(-c2ccccc2)oc1=O.
What is the InChIKey of 5-benzoyl-2,4-diphenyl-1,3-oxazin-6-one?
The InChIKey is RQUURNRPFQKXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15NO3/c25-21(17-12-6-2-7-13-17)19-20(16-10-4-1-5-11-16)24-22(27-23(19)26)18-14-8-3-9-15-18/h1-15H.
What are the key properties of 5-benzoyl-2,4-diphenyl-1,3-oxazin-6-one?
5-benzoyl-2,4-diphenyl-1,3-oxazin-6-one has a molecular weight of 353.38 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzoyl-2,4-diphenyl-1,3-oxazin-6-one is sourced from PubChem (CID 71390039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).