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

C13H15NO2 — CID 568975

IUPAC2-ethyl-6-methyl-2-phenyl-3H-1,3-oxazin-4-one
SMILESCCC1(c2ccccc2)NC(=O)C=C(C)O1
InChIInChI=1S/C13H15NO2/c1-3-13(11-7-5-4-6-8-11)14-12(15)9-10(2)16-13/h4-9H,3H2,1-2H3,(H,14,15)
InChIKeyLOOAKHCYDNFHNP-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.30
Rot. Bonds2

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

2-ethyl-6-methyl-2-phenyl-3H-1,3-oxazin-4-one (PubChem CID 568975) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-ethyl-6-methyl-2-phenyl-3H-1,3-oxazin-4-one.

Molecular Properties

Compound Name2-ethyl-6-methyl-2-phenyl-3H-1,3-oxazin-4-one
PubChem CID568975
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name2-ethyl-6-methyl-2-phenyl-3H-1,3-oxazin-4-one
SMILESCCC1(c2ccccc2)NC(=O)C=C(C)O1
InChIInChI=1S/C13H15NO2/c1-3-13(11-7-5-4-6-8-11)14-12(15)9-10(2)16-13/h4-9H,3H2,1-2H3,(H,14,15)
InChIKeyLOOAKHCYDNFHNP-UHFFFAOYSA-N
XLogP2.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-Diphenyl-4-oxazolin-2-one
CID 151245
N-[3,3,3-trifluoro-1-methoxy-1-(3-methylphenyl)propyl]acetamide
CID 134838437
N-[3,3,3-trifluoro-1-methoxy-1-[4-(trifluoromethyl)phenyl]propyl]acetamide
CID 134838892
N-(3,3,3-trifluoro-1-methoxy-1-phenylpropyl)acetamide
CID 134858821
N-[3,3,3-trifluoro-1-(4-fluorophenyl)-1-methoxypropyl]acetamide
CID 134858881
6-Phenyl-1,3-oxazine-2,4-dione
CID 2804620
5-methoxy-4,6-diphenyl-1H-pyridin-2-one
CID 53730259
6-Methyl-2-phenyl-3-propyl-2,3-dihydro-4H-1,3-oxazin-4-one
CID 12913829
2-acetyl-2-methyl-6-phenyl-3H-1,3-oxazin-4-one
CID 102346338
4-Hydroxy-5-methyl(phenyl)-2-styryl-6h-1,3-oxazin-6-one
CID 129764133
4-Acetyl-2-methyl(phenyl)-5-methyloxazole
CID 129874686
3-Benzyl-2,6-dimethyl-2-phenyl-1,3-oxazin-4-one
CID 132969071

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methyl-2-phenyl-3H-1,3-oxazin-4-one?
The IUPAC name of 2-ethyl-6-methyl-2-phenyl-3H-1,3-oxazin-4-one (CID 568975) is 2-ethyl-6-methyl-2-phenyl-3H-1,3-oxazin-4-one.
What is the SMILES notation for 2-ethyl-6-methyl-2-phenyl-3H-1,3-oxazin-4-one?
The canonical SMILES for 2-ethyl-6-methyl-2-phenyl-3H-1,3-oxazin-4-one is CCC1(c2ccccc2)NC(=O)C=C(C)O1.
What is the InChIKey of 2-ethyl-6-methyl-2-phenyl-3H-1,3-oxazin-4-one?
The InChIKey is LOOAKHCYDNFHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-3-13(11-7-5-4-6-8-11)14-12(15)9-10(2)16-13/h4-9H,3H2,1-2H3,(H,14,15).
What are the key properties of 2-ethyl-6-methyl-2-phenyl-3H-1,3-oxazin-4-one?
2-ethyl-6-methyl-2-phenyl-3H-1,3-oxazin-4-one has a molecular weight of 217.27 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methyl-2-phenyl-3H-1,3-oxazin-4-one is sourced from PubChem (CID 568975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).