6-methyl-2,2-diphenyl-3H-1,3-oxazin-4-one

C17H15NO2 — CID 602055

IUPAC6-methyl-2,2-diphenyl-3H-1,3-oxazin-4-one
SMILESCC1=CC(=O)NC(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C17H15NO2/c1-13-12-16(19)18-17(20-13,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-12H,1H3,(H,18,19)
InChIKeyVQZQDSLEZXWZHZ-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.94
Rot. Bonds2

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

6-methyl-2,2-diphenyl-3H-1,3-oxazin-4-one (PubChem CID 602055) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 6-methyl-2,2-diphenyl-3H-1,3-oxazin-4-one.

Molecular Properties

Compound Name6-methyl-2,2-diphenyl-3H-1,3-oxazin-4-one
PubChem CID602055
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name6-methyl-2,2-diphenyl-3H-1,3-oxazin-4-one
SMILESCC1=CC(=O)NC(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C17H15NO2/c1-13-12-16(19)18-17(20-13,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-12H,1H3,(H,18,19)
InChIKeyVQZQDSLEZXWZHZ-UHFFFAOYSA-N
XLogP2.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-Diphenyl-4-oxazolin-2-one
CID 151245
N-[3,3,3-trifluoro-1-methoxy-1-(4-phenylphenyl)propyl]acetamide
CID 134838646
N-(3,3,3-trifluoro-1-methoxy-1-phenylpropyl)acetamide
CID 134858821
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
4-(4-methylphenyl)-5-phenyl-3H-1,3-oxazol-2-one
CID 12345607
(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

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,2-diphenyl-3H-1,3-oxazin-4-one?
The IUPAC name of 6-methyl-2,2-diphenyl-3H-1,3-oxazin-4-one (CID 602055) is 6-methyl-2,2-diphenyl-3H-1,3-oxazin-4-one.
What is the SMILES notation for 6-methyl-2,2-diphenyl-3H-1,3-oxazin-4-one?
The canonical SMILES for 6-methyl-2,2-diphenyl-3H-1,3-oxazin-4-one is CC1=CC(=O)NC(c2ccccc2)(c2ccccc2)O1.
What is the InChIKey of 6-methyl-2,2-diphenyl-3H-1,3-oxazin-4-one?
The InChIKey is VQZQDSLEZXWZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-13-12-16(19)18-17(20-13,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-12H,1H3,(H,18,19).
What are the key properties of 6-methyl-2,2-diphenyl-3H-1,3-oxazin-4-one?
6-methyl-2,2-diphenyl-3H-1,3-oxazin-4-one has a molecular weight of 265.31 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,2-diphenyl-3H-1,3-oxazin-4-one is sourced from PubChem (CID 602055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).