2-benzoyl-5-benzyl-4-phenyl-1,3-oxazin-6-one

C24H17NO3 — CID 14244995

IUPAC2-benzoyl-5-benzyl-4-phenyl-1,3-oxazin-6-one
SMILESO=C(c1ccccc1)c1nc(-c2ccccc2)c(Cc2ccccc2)c(=O)o1
InChIInChI=1S/C24H17NO3/c26-22(19-14-8-3-9-15-19)23-25-21(18-12-6-2-7-13-18)20(24(27)28-23)16-17-10-4-1-5-11-17/h1-15H,16H2
InChIKeyBGDPMEQCDSUUNZ-UHFFFAOYSA-N
MW367.40 g/mol
LogP4.52
Rot. Bonds5

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

2-benzoyl-5-benzyl-4-phenyl-1,3-oxazin-6-one (PubChem CID 14244995) has the molecular formula C24H17NO3 and a molecular weight of 367.40 g/mol. Its IUPAC name is 2-benzoyl-5-benzyl-4-phenyl-1,3-oxazin-6-one.

Molecular Properties

Compound Name2-benzoyl-5-benzyl-4-phenyl-1,3-oxazin-6-one
PubChem CID14244995
Molecular FormulaC24H17NO3
Molecular Weight367.40 g/mol
Exact Mass367.12
IUPAC Name2-benzoyl-5-benzyl-4-phenyl-1,3-oxazin-6-one
SMILESO=C(c1ccccc1)c1nc(-c2ccccc2)c(Cc2ccccc2)c(=O)o1
InChIInChI=1S/C24H17NO3/c26-22(19-14-8-3-9-15-19)23-25-21(18-12-6-2-7-13-18)20(24(27)28-23)16-17-10-4-1-5-11-17/h1-15H,16H2
InChIKeyBGDPMEQCDSUUNZ-UHFFFAOYSA-N
XLogP4.52
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-5-benzyl-4-phenyl-1,3-oxazin-6-one?
The IUPAC name of 2-benzoyl-5-benzyl-4-phenyl-1,3-oxazin-6-one (CID 14244995) is 2-benzoyl-5-benzyl-4-phenyl-1,3-oxazin-6-one.
What is the SMILES notation for 2-benzoyl-5-benzyl-4-phenyl-1,3-oxazin-6-one?
The canonical SMILES for 2-benzoyl-5-benzyl-4-phenyl-1,3-oxazin-6-one is O=C(c1ccccc1)c1nc(-c2ccccc2)c(Cc2ccccc2)c(=O)o1.
What is the InChIKey of 2-benzoyl-5-benzyl-4-phenyl-1,3-oxazin-6-one?
The InChIKey is BGDPMEQCDSUUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NO3/c26-22(19-14-8-3-9-15-19)23-25-21(18-12-6-2-7-13-18)20(24(27)28-23)16-17-10-4-1-5-11-17/h1-15H,16H2.
What are the key properties of 2-benzoyl-5-benzyl-4-phenyl-1,3-oxazin-6-one?
2-benzoyl-5-benzyl-4-phenyl-1,3-oxazin-6-one has a molecular weight of 367.40 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-5-benzyl-4-phenyl-1,3-oxazin-6-one is sourced from PubChem (CID 14244995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).