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

C11H9NO2 — CID 135005027

IUPAC6-methyl-3-phenyl-1,4-oxazin-2-one
SMILESCc1cnc(-c2ccccc2)c(=O)o1
InChIInChI=1S/C11H9NO2/c1-8-7-12-10(11(13)14-8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyHLLBUSXASUWHDP-UHFFFAOYSA-N
MW187.20 g/mol
LogP2.01
Rot. Bonds1

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

6-methyl-3-phenyl-1,4-oxazin-2-one (PubChem CID 135005027) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 6-methyl-3-phenyl-1,4-oxazin-2-one.

Molecular Properties

Compound Name6-methyl-3-phenyl-1,4-oxazin-2-one
PubChem CID135005027
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name6-methyl-3-phenyl-1,4-oxazin-2-one
SMILESCc1cnc(-c2ccccc2)c(=O)o1
InChIInChI=1S/C11H9NO2/c1-8-7-12-10(11(13)14-8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyHLLBUSXASUWHDP-UHFFFAOYSA-N
XLogP2.01
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5(2H)-Oxazolone, 4-phenyl-2-(trifluoromethyl)-
CID 2740931
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
4-Phenyl-2,2-bis(trifluoromethyl)-1,3-oxazol-5-one
CID 12534591
Ethyl 7-fluoro-3,4-dihydroisoquinoline-1-carboxylate
CID 134986888
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 6-methyl-3-phenyl-1,4-oxazin-2-one?
The IUPAC name of 6-methyl-3-phenyl-1,4-oxazin-2-one (CID 135005027) is 6-methyl-3-phenyl-1,4-oxazin-2-one.
What is the SMILES notation for 6-methyl-3-phenyl-1,4-oxazin-2-one?
The canonical SMILES for 6-methyl-3-phenyl-1,4-oxazin-2-one is Cc1cnc(-c2ccccc2)c(=O)o1.
What is the InChIKey of 6-methyl-3-phenyl-1,4-oxazin-2-one?
The InChIKey is HLLBUSXASUWHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c1-8-7-12-10(11(13)14-8)9-5-3-2-4-6-9/h2-7H,1H3.
What are the key properties of 6-methyl-3-phenyl-1,4-oxazin-2-one?
6-methyl-3-phenyl-1,4-oxazin-2-one has a molecular weight of 187.20 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-phenyl-1,4-oxazin-2-one is sourced from PubChem (CID 135005027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).