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

C23H17NO2 — CID 14244989

IUPAC5-benzyl-2,4-diphenyl-1,3-oxazin-6-one
SMILESO=c1oc(-c2ccccc2)nc(-c2ccccc2)c1Cc1ccccc1
InChIInChI=1S/C23H17NO2/c25-23-20(16-17-10-4-1-5-11-17)21(18-12-6-2-7-13-18)24-22(26-23)19-14-8-3-9-15-19/h1-15H,16H2
InChIKeyFHSABWWXVVBBBV-UHFFFAOYSA-N
MW339.39 g/mol
LogP4.96
Rot. Bonds4

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

5-benzyl-2,4-diphenyl-1,3-oxazin-6-one (PubChem CID 14244989) has the molecular formula C23H17NO2 and a molecular weight of 339.39 g/mol. Its IUPAC name is 5-benzyl-2,4-diphenyl-1,3-oxazin-6-one.

Molecular Properties

Compound Name5-benzyl-2,4-diphenyl-1,3-oxazin-6-one
PubChem CID14244989
Molecular FormulaC23H17NO2
Molecular Weight339.39 g/mol
Exact Mass339.13
IUPAC Name5-benzyl-2,4-diphenyl-1,3-oxazin-6-one
SMILESO=c1oc(-c2ccccc2)nc(-c2ccccc2)c1Cc1ccccc1
InChIInChI=1S/C23H17NO2/c25-23-20(16-17-10-4-1-5-11-17)21(18-12-6-2-7-13-18)24-22(26-23)19-14-8-3-9-15-19/h1-15H,16H2
InChIKeyFHSABWWXVVBBBV-UHFFFAOYSA-N
XLogP4.96
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2'-phenylspiro[cyclohexane-1,5'-naphtho[1,2-d][1,3]oxazin]-4'(6'H)-one
CID 555472
5-ethyl-5-methyl-2-phenyl-5,6-dihydro-4H-naphtho[1,2-d][1,3]oxazin-4-one
CID 3792807
5,5-dimethyl-2-phenyl-5,6-dihydro-4H-naphtho[1,2-d][1,3]oxazin-4-one
CID 740868
2,4-Bis(2-fluorophenyl)-1,3-oxazin-6-one
CID 921563
5,5-diethyl-2-phenyl-5,6-dihydro-4H-naphtho[1,2-d][1,3]oxazin-4-one
CID 1343621
2'-phenylspiro[cyclopentane-1,5'-naphtho[1,2-d][1,3]oxazin]-4'(6'H)-one
CID 753933
2,4,4-Triphenyl-2-oxazolin-5-one
CID 680472
2-Phenyl-4-[2-(4,4,4-trifluorobutyl)phenyl]-1,3-oxazin-6-one
CID 132608149
(2S)-2-(fluoromethyl)-2,4-diphenyl-1,3-oxazol-5-one
CID 139187282
2,4-diphenyl-6H-1,3-oxazin-6-one
CID 691262
5-O-benzyl 3-O-ethyl 2-methyl-6-phenyl-4-(2-phenylethynyl)-3,4-dihydropyridine-3,5-dicarboxylate
CID 53851416
(4R)-2,4-diphenyl-4,5-dihydro-1,3-oxazin-6-one
CID 57788631

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2,4-diphenyl-1,3-oxazin-6-one?
The IUPAC name of 5-benzyl-2,4-diphenyl-1,3-oxazin-6-one (CID 14244989) is 5-benzyl-2,4-diphenyl-1,3-oxazin-6-one.
What is the SMILES notation for 5-benzyl-2,4-diphenyl-1,3-oxazin-6-one?
The canonical SMILES for 5-benzyl-2,4-diphenyl-1,3-oxazin-6-one is O=c1oc(-c2ccccc2)nc(-c2ccccc2)c1Cc1ccccc1.
What is the InChIKey of 5-benzyl-2,4-diphenyl-1,3-oxazin-6-one?
The InChIKey is FHSABWWXVVBBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO2/c25-23-20(16-17-10-4-1-5-11-17)21(18-12-6-2-7-13-18)24-22(26-23)19-14-8-3-9-15-19/h1-15H,16H2.
What are the key properties of 5-benzyl-2,4-diphenyl-1,3-oxazin-6-one?
5-benzyl-2,4-diphenyl-1,3-oxazin-6-one has a molecular weight of 339.39 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2,4-diphenyl-1,3-oxazin-6-one is sourced from PubChem (CID 14244989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).