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

C12H11NO2 — CID 13028434

IUPAC5,6-dimethyl-2-phenyl-1,3-oxazin-4-one
SMILESCc1oc(-c2ccccc2)nc(=O)c1C
InChIInChI=1S/C12H11NO2/c1-8-9(2)15-12(13-11(8)14)10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKeyZOBYPADJXNEZET-UHFFFAOYSA-N
MW201.23 g/mol
LogP2.32
Rot. Bonds1

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

5,6-dimethyl-2-phenyl-1,3-oxazin-4-one (PubChem CID 13028434) has the molecular formula C12H11NO2 and a molecular weight of 201.23 g/mol. Its IUPAC name is 5,6-dimethyl-2-phenyl-1,3-oxazin-4-one.

Molecular Properties

Compound Name5,6-dimethyl-2-phenyl-1,3-oxazin-4-one
PubChem CID13028434
Molecular FormulaC12H11NO2
Molecular Weight201.23 g/mol
Exact Mass201.08
IUPAC Name5,6-dimethyl-2-phenyl-1,3-oxazin-4-one
SMILESCc1oc(-c2ccccc2)nc(=O)c1C
InChIInChI=1S/C12H11NO2/c1-8-9(2)15-12(13-11(8)14)10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKeyZOBYPADJXNEZET-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 ≤ 500201.23
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-phenyl-1,3-oxazin-4-one?
The IUPAC name of 5,6-dimethyl-2-phenyl-1,3-oxazin-4-one (CID 13028434) is 5,6-dimethyl-2-phenyl-1,3-oxazin-4-one.
What is the SMILES notation for 5,6-dimethyl-2-phenyl-1,3-oxazin-4-one?
The canonical SMILES for 5,6-dimethyl-2-phenyl-1,3-oxazin-4-one is Cc1oc(-c2ccccc2)nc(=O)c1C.
What is the InChIKey of 5,6-dimethyl-2-phenyl-1,3-oxazin-4-one?
The InChIKey is ZOBYPADJXNEZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-8-9(2)15-12(13-11(8)14)10-6-4-3-5-7-10/h3-7H,1-2H3.
What are the key properties of 5,6-dimethyl-2-phenyl-1,3-oxazin-4-one?
5,6-dimethyl-2-phenyl-1,3-oxazin-4-one has a molecular weight of 201.23 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-2-phenyl-1,3-oxazin-4-one is sourced from PubChem (CID 13028434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).