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

C11H9NO2 — CID 10589351

IUPAC6-methyl-2-phenyl-1,3-oxazin-4-one
SMILESCc1cc(=O)nc(-c2ccccc2)o1
InChIInChI=1S/C11H9NO2/c1-8-7-10(13)12-11(14-8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyOUCZAHWQWAGRJC-UHFFFAOYSA-N
MW187.20 g/mol
LogP2.01
Rot. Bonds1

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

6-methyl-2-phenyl-1,3-oxazin-4-one (PubChem CID 10589351) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 6-methyl-2-phenyl-1,3-oxazin-4-one.

Molecular Properties

Compound Name6-methyl-2-phenyl-1,3-oxazin-4-one
PubChem CID10589351
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name6-methyl-2-phenyl-1,3-oxazin-4-one
SMILESCc1cc(=O)nc(-c2ccccc2)o1
InChIInChI=1S/C11H9NO2/c1-8-7-10(13)12-11(14-8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyOUCZAHWQWAGRJC-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

2-Methyl-6-phenyl-4H-pyran-4-one
CID 120521
4-(2,6-Dimethylpyran-4-ylidene)-2-phenyl-1,3-oxazol-5-one
CID 766247
4(5H)-Oxazolone, 5,5-dimethyl-2-phenyl-
CID 709402
(5Z)-2-phenyl-5-[(2E)-3-phenylprop-2-en-1-ylidene]-1,3-oxazol-4(5H)-one
CID 919313
6-Amino-2-phenyl-4H-1,3-oxazin-4-one
CID 21231615
6-(1,1,2,2,2-Pentafluoroethyl)-2-phenyl-5-(trifluoromethyl)-1,3-oxazin-4-one
CID 134922293
(1E,3E)-1,3-bis(4,4-dimethyl-2-phenyl-1,3-oxazol-5-ylidene)propan-2-one
CID 10905453
methyl (2E)-2-(4,4-dimethyl-2-phenyl-1,3-oxazol-5-ylidene)acetate
CID 11075710
2-Ethyl-6-phenylpyran-4-one
CID 134912042
ethyl N-acetylbenzenecarboximidate
CID 4309685
methyl N-acetylbenzimidate
CID 13028603
Methyl N-propanoylbenzenecarboximidate
CID 13553945

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-phenyl-1,3-oxazin-4-one?
The IUPAC name of 6-methyl-2-phenyl-1,3-oxazin-4-one (CID 10589351) is 6-methyl-2-phenyl-1,3-oxazin-4-one.
What is the SMILES notation for 6-methyl-2-phenyl-1,3-oxazin-4-one?
The canonical SMILES for 6-methyl-2-phenyl-1,3-oxazin-4-one is Cc1cc(=O)nc(-c2ccccc2)o1.
What is the InChIKey of 6-methyl-2-phenyl-1,3-oxazin-4-one?
The InChIKey is OUCZAHWQWAGRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c1-8-7-10(13)12-11(14-8)9-5-3-2-4-6-9/h2-7H,1H3.
What are the key properties of 6-methyl-2-phenyl-1,3-oxazin-4-one?
6-methyl-2-phenyl-1,3-oxazin-4-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-2-phenyl-1,3-oxazin-4-one is sourced from PubChem (CID 10589351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).