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

C23H19NO2 — CID 134835233

IUPAC3-benzyl-2,5-diphenyl-2H-1,3-oxazin-4-one
SMILESO=C1C(c2ccccc2)=COC(c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C23H19NO2/c25-22-21(19-12-6-2-7-13-19)17-26-23(20-14-8-3-9-15-20)24(22)16-18-10-4-1-5-11-18/h1-15,17,23H,16H2
InChIKeyPEDZCHBRTUZSIG-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.79
Rot. Bonds4

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

3-benzyl-2,5-diphenyl-2H-1,3-oxazin-4-one (PubChem CID 134835233) has the molecular formula C23H19NO2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-benzyl-2,5-diphenyl-2H-1,3-oxazin-4-one.

Molecular Properties

Compound Name3-benzyl-2,5-diphenyl-2H-1,3-oxazin-4-one
PubChem CID134835233
Molecular FormulaC23H19NO2
Molecular Weight341.41 g/mol
Exact Mass341.14
IUPAC Name3-benzyl-2,5-diphenyl-2H-1,3-oxazin-4-one
SMILESO=C1C(c2ccccc2)=COC(c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C23H19NO2/c25-22-21(19-12-6-2-7-13-19)17-26-23(20-14-8-3-9-15-20)24(22)16-18-10-4-1-5-11-18/h1-15,17,23H,16H2
InChIKeyPEDZCHBRTUZSIG-UHFFFAOYSA-N
XLogP4.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[4-[(Dimethylamino)methyl]phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one
CID 89798658
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CID 5461831
1-benzyl-4-(benzyloxy)pyridin-2(1H)-one
CID 10193032
1-benzyl-4-(benzyloxy)-3-methylpyridin-2(1H)-one
CID 10193155
1-[4-(2-Benzhydryloxy-ethyl)-piperidin-1-yl]-2-phenyl-ethanone
CID 10549679
1-benzyl-4-(benzyloxy)-3-ethylpyridin-2(1H)-one
CID 22050258
Benzyl 2-(dibenzoylamino)acetate
CID 272865
Phenyl(2-phenyl-1,3-oxazinan-3-yl)methanone
CID 653321
2-(4-Benzyloxy-cyclohexa-1,3-dienyl)-N-methyl-N-phenethyl-acetamide
CID 44356239
1-benzyl-4-(benzyloxy)-3-vinylpyridin-2(1H)-one
CID 22051118
(1-benzyl-2-oxo-3,5-diphenyl-4-pyridinyl) N,N-dimethylcarbamate
CID 2825290
N-benzyl-N-methyl-2-(4-phenylmethoxyphenyl)acetamide
CID 10712553

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2,5-diphenyl-2H-1,3-oxazin-4-one?
The IUPAC name of 3-benzyl-2,5-diphenyl-2H-1,3-oxazin-4-one (CID 134835233) is 3-benzyl-2,5-diphenyl-2H-1,3-oxazin-4-one.
What is the SMILES notation for 3-benzyl-2,5-diphenyl-2H-1,3-oxazin-4-one?
The canonical SMILES for 3-benzyl-2,5-diphenyl-2H-1,3-oxazin-4-one is O=C1C(c2ccccc2)=COC(c2ccccc2)N1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2,5-diphenyl-2H-1,3-oxazin-4-one?
The InChIKey is PEDZCHBRTUZSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO2/c25-22-21(19-12-6-2-7-13-19)17-26-23(20-14-8-3-9-15-20)24(22)16-18-10-4-1-5-11-18/h1-15,17,23H,16H2.
What are the key properties of 3-benzyl-2,5-diphenyl-2H-1,3-oxazin-4-one?
3-benzyl-2,5-diphenyl-2H-1,3-oxazin-4-one has a molecular weight of 341.41 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2,5-diphenyl-2H-1,3-oxazin-4-one is sourced from PubChem (CID 134835233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).