2-benzyl-6-methyl-2-phenyl-3H-1,3-oxazin-4-one

C18H17NO2 — CID 569072

IUPAC2-benzyl-6-methyl-2-phenyl-3H-1,3-oxazin-4-one
SMILESCC1=CC(=O)NC(Cc2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C18H17NO2/c1-14-12-17(20)19-18(21-14,16-10-6-3-7-11-16)13-15-8-4-2-5-9-15/h2-12H,13H2,1H3,(H,19,20)
InChIKeyHPYONWAWULJWCV-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.13
Rot. Bonds3

About 2-benzyl-6-methyl-2-phenyl-3H-1,3-oxazin-4-one

2-benzyl-6-methyl-2-phenyl-3H-1,3-oxazin-4-one (PubChem CID 569072) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-benzyl-6-methyl-2-phenyl-3H-1,3-oxazin-4-one.

Molecular Properties

Compound Name2-benzyl-6-methyl-2-phenyl-3H-1,3-oxazin-4-one
PubChem CID569072
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name2-benzyl-6-methyl-2-phenyl-3H-1,3-oxazin-4-one
SMILESCC1=CC(=O)NC(Cc2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C18H17NO2/c1-14-12-17(20)19-18(21-14,16-10-6-3-7-11-16)13-15-8-4-2-5-9-15/h2-12H,13H2,1H3,(H,19,20)
InChIKeyHPYONWAWULJWCV-UHFFFAOYSA-N
XLogP3.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzyl-2-(4-fluorophenyl)-6-methyl-2H-1,3-oxazin-4-one
CID 132969069
N-[3,3,3-trifluoro-1-methoxy-1-(4-phenylphenyl)propyl]acetamide
CID 134838646
2-tert-butyl-7,7-dimethyl-2-phenyl-6,8-dihydro-3H-1,3-benzoxazine-4,5-dione
CID 3670729
N-[2-diethylaminoethyloxy(diphenyl)methyl]acetamide
CID 379856
5-methoxy-4,6-diphenyl-1H-pyridin-2-one
CID 53730259
4H-1,3-Oxazin-4-one, 2,3-dihydro-6-methyl-2-phenyl-3-(phenylmethyl)-
CID 12291972
N-(4-methoxy-1-methyl-2,4,6-triphenylcyclohexa-2,5-dien-1-yl)acetamide
CID 12729556
(2R)-2,6-diphenyl-3-[(1R)-1-phenylethyl]-2H-1,3-oxazin-4-one
CID 101781905
4-Hydroxy-5-methyl(phenyl)-2-styryl-6h-1,3-oxazin-6-one
CID 129764133
4-Acetyl-2-methyl(phenyl)-5-methyloxazole
CID 129874686
3-Benzyl-2,6-dimethyl-2-phenyl-1,3-oxazin-4-one
CID 132969071
3-benzyl-6-ethyl-2-phenyl-2H-1,3-oxazin-4-one
CID 132969082

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-methyl-2-phenyl-3H-1,3-oxazin-4-one?
The IUPAC name of 2-benzyl-6-methyl-2-phenyl-3H-1,3-oxazin-4-one (CID 569072) is 2-benzyl-6-methyl-2-phenyl-3H-1,3-oxazin-4-one.
What is the SMILES notation for 2-benzyl-6-methyl-2-phenyl-3H-1,3-oxazin-4-one?
The canonical SMILES for 2-benzyl-6-methyl-2-phenyl-3H-1,3-oxazin-4-one is CC1=CC(=O)NC(Cc2ccccc2)(c2ccccc2)O1.
What is the InChIKey of 2-benzyl-6-methyl-2-phenyl-3H-1,3-oxazin-4-one?
The InChIKey is HPYONWAWULJWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-14-12-17(20)19-18(21-14,16-10-6-3-7-11-16)13-15-8-4-2-5-9-15/h2-12H,13H2,1H3,(H,19,20).
What are the key properties of 2-benzyl-6-methyl-2-phenyl-3H-1,3-oxazin-4-one?
2-benzyl-6-methyl-2-phenyl-3H-1,3-oxazin-4-one has a molecular weight of 279.34 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-methyl-2-phenyl-3H-1,3-oxazin-4-one is sourced from PubChem (CID 569072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).