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

C12H13NO2 — CID 121015528

IUPAC2,3-dimethyl-5-phenyl-2,3-dihydro-1,4-oxazin-6-one
SMILESCC1N=C(c2ccccc2)C(=O)OC1C
InChIInChI=1S/C12H13NO2/c1-8-9(2)15-12(14)11(13-8)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyMBMZOQPKSIQGLT-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.81
Rot. Bonds1

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

2,3-dimethyl-5-phenyl-2,3-dihydro-1,4-oxazin-6-one (PubChem CID 121015528) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2,3-dimethyl-5-phenyl-2,3-dihydro-1,4-oxazin-6-one.

Molecular Properties

Compound Name2,3-dimethyl-5-phenyl-2,3-dihydro-1,4-oxazin-6-one
PubChem CID121015528
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name2,3-dimethyl-5-phenyl-2,3-dihydro-1,4-oxazin-6-one
SMILESCC1N=C(c2ccccc2)C(=O)OC1C
InChIInChI=1S/C12H13NO2/c1-8-9(2)15-12(14)11(13-8)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyMBMZOQPKSIQGLT-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
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
ethyl (2Z)-2-(4-fluorophenyl)-2-methoxyiminoacetate
CID 56601405
(2S)-2-(azidomethyl)-5-(4-fluorophenyl)-2,3-dihydro-1,4-oxazin-6-one
CID 102340546
Ethyl 7-fluoro-3,4-dihydroisoquinoline-1-carboxylate
CID 134986888
Propan-2-yl 2-diazo-2-(2-fluorophenyl)acetate
CID 176430484
Ethyl 3-cyclopropylimino-2,2-difluoro-3-phenylpropanoate
CID 177849750

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-phenyl-2,3-dihydro-1,4-oxazin-6-one?
The IUPAC name of 2,3-dimethyl-5-phenyl-2,3-dihydro-1,4-oxazin-6-one (CID 121015528) is 2,3-dimethyl-5-phenyl-2,3-dihydro-1,4-oxazin-6-one.
What is the SMILES notation for 2,3-dimethyl-5-phenyl-2,3-dihydro-1,4-oxazin-6-one?
The canonical SMILES for 2,3-dimethyl-5-phenyl-2,3-dihydro-1,4-oxazin-6-one is CC1N=C(c2ccccc2)C(=O)OC1C.
What is the InChIKey of 2,3-dimethyl-5-phenyl-2,3-dihydro-1,4-oxazin-6-one?
The InChIKey is MBMZOQPKSIQGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-8-9(2)15-12(14)11(13-8)10-6-4-3-5-7-10/h3-9H,1-2H3.
What are the key properties of 2,3-dimethyl-5-phenyl-2,3-dihydro-1,4-oxazin-6-one?
2,3-dimethyl-5-phenyl-2,3-dihydro-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 2,3-dimethyl-5-phenyl-2,3-dihydro-1,4-oxazin-6-one is sourced from PubChem (CID 121015528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).