5,6-dimethyl-3-phenyl-1,4-oxazin-2-one

C12H11NO2 — CID 121010220

IUPAC5,6-dimethyl-3-phenyl-1,4-oxazin-2-one
SMILESCc1nc(-c2ccccc2)c(=O)oc1C
InChIInChI=1S/C12H11NO2/c1-8-9(2)15-12(14)11(13-8)10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKeyYTIZYBSFCVSZFW-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.32
Rot. Bonds1

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

5,6-dimethyl-3-phenyl-1,4-oxazin-2-one (PubChem CID 121010220) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 5,6-dimethyl-3-phenyl-1,4-oxazin-2-one.

Molecular Properties

Compound Name5,6-dimethyl-3-phenyl-1,4-oxazin-2-one
PubChem CID121010220
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name5,6-dimethyl-3-phenyl-1,4-oxazin-2-one
SMILESCc1nc(-c2ccccc2)c(=O)oc1C
InChIInChI=1S/C12H11NO2/c1-8-9(2)15-12(14)11(13-8)10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKeyYTIZYBSFCVSZFW-UHFFFAOYSA-N
XLogP2.32
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzylidene-4-phenyl-1,3-oxazol-5(2H)-one
CID 851756
Benzeneacetic acid, alpha-diazo-, methyl ester
CID 53436974
Tert-butyl 2-diazo-2-(2-fluorophenyl)acetate
CID 125496707
Tert-butyl 2-diazo-2-(4-fluorophenyl)acetate
CID 135797330
2-Benzylidene-4-phenyl-5(2h)-oxazolone
CID 11842096
Methyl 2-methoxyimino-2-phenylacetate
CID 577152
Methoxyimino-phenylacetic acid, methyl ester
CID 9602710
Methyl-(E)-2-(2-tolyl)-2-methoxyiminoacetate
CID 14329206
4-Phenyl-2,2-bis(trifluoromethyl)-1,3-oxazol-5-one
CID 12534591
ethyl (2Z)-2-(4-fluorophenyl)-2-methoxyiminoacetate
CID 56601405
5,5-Dimethyl-3-phenyl-5,6-dihydro-2H-1,4-oxazin-2-on
CID 121015119
methyl (2E)-2-hydroxyimino-2-phenylacetate
CID 9614877

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-phenyl-1,4-oxazin-2-one?
The IUPAC name of 5,6-dimethyl-3-phenyl-1,4-oxazin-2-one (CID 121010220) is 5,6-dimethyl-3-phenyl-1,4-oxazin-2-one.
What is the SMILES notation for 5,6-dimethyl-3-phenyl-1,4-oxazin-2-one?
The canonical SMILES for 5,6-dimethyl-3-phenyl-1,4-oxazin-2-one is Cc1nc(-c2ccccc2)c(=O)oc1C.
What is the InChIKey of 5,6-dimethyl-3-phenyl-1,4-oxazin-2-one?
The InChIKey is YTIZYBSFCVSZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-8-9(2)15-12(14)11(13-8)10-6-4-3-5-7-10/h3-7H,1-2H3.
What are the key properties of 5,6-dimethyl-3-phenyl-1,4-oxazin-2-one?
5,6-dimethyl-3-phenyl-1,4-oxazin-2-one has a molecular weight of 201.22 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-phenyl-1,4-oxazin-2-one is sourced from PubChem (CID 121010220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).