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

C12H13NO2 — CID 121015119

IUPAC3,3-dimethyl-5-phenyl-2H-1,4-oxazin-6-one
SMILESCC1(C)COC(=O)C(c2ccccc2)=N1
InChIInChI=1S/C12H13NO2/c1-12(2)8-15-11(14)10(13-12)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyGWZQESTUGPCLKB-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.81
Rot. Bonds1

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

3,3-dimethyl-5-phenyl-2H-1,4-oxazin-6-one (PubChem CID 121015119) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 3,3-dimethyl-5-phenyl-2H-1,4-oxazin-6-one.

Molecular Properties

Compound Name3,3-dimethyl-5-phenyl-2H-1,4-oxazin-6-one
PubChem CID121015119
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name3,3-dimethyl-5-phenyl-2H-1,4-oxazin-6-one
SMILESCC1(C)COC(=O)C(c2ccccc2)=N1
InChIInChI=1S/C12H13NO2/c1-12(2)8-15-11(14)10(13-12)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyGWZQESTUGPCLKB-UHFFFAOYSA-N
XLogP1.81
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5(2H)-Oxazolone, 4-phenyl-2-(trifluoromethyl)-
CID 2740931
Benzeneacetic acid, alpha-diazo-, methyl ester
CID 53436974
Methyl 2-diazo-2-(2-fluorophenyl)acetate
CID 73062244
Methyl 2-diazo-2-(4-fluorophenyl)acetate
CID 74073861
Methyl 2-diazo-2-(3-fluorophenyl)acetate
CID 137292069
Ethyl 2-diazo-2-(4-fluorophenyl)acetate
CID 137300605
ethyl 3-phenyl-2H-azirine-2-carboxylate
CID 570795
Methyl 2-methoxyimino-2-phenylacetate
CID 577152
Methoxyimino-phenylacetic acid, methyl ester
CID 9602710
(2S)-3-phenyl-2-propan-2-yl-2,5-dihydro-1,4-oxazin-6-one
CID 11042179
5-phenyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid ethyl ester
CID 11106816
alpha-Methoxyiminophenylacetic acid
CID 53932705

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-phenyl-2H-1,4-oxazin-6-one?
The IUPAC name of 3,3-dimethyl-5-phenyl-2H-1,4-oxazin-6-one (CID 121015119) is 3,3-dimethyl-5-phenyl-2H-1,4-oxazin-6-one.
What is the SMILES notation for 3,3-dimethyl-5-phenyl-2H-1,4-oxazin-6-one?
The canonical SMILES for 3,3-dimethyl-5-phenyl-2H-1,4-oxazin-6-one is CC1(C)COC(=O)C(c2ccccc2)=N1.
What is the InChIKey of 3,3-dimethyl-5-phenyl-2H-1,4-oxazin-6-one?
The InChIKey is GWZQESTUGPCLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-12(2)8-15-11(14)10(13-12)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3.
What are the key properties of 3,3-dimethyl-5-phenyl-2H-1,4-oxazin-6-one?
3,3-dimethyl-5-phenyl-2H-1,4-oxazin-6-one has a molecular weight of 203.24 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-phenyl-2H-1,4-oxazin-6-one is sourced from PubChem (CID 121015119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).