2-(dimethylamino)-6-phenyl-5-(trifluoromethyl)-1,3-oxazin-4-one

C13H11F3N2O2 — CID 15001695

IUPAC2-(dimethylamino)-6-phenyl-5-(trifluoromethyl)-1,3-oxazin-4-one
SMILESCN(C)c1nc(=O)c(C(F)(F)F)c(-c2ccccc2)o1
InChIInChI=1S/C13H11F3N2O2/c1-18(2)12-17-11(19)9(13(14,15)16)10(20-12)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyBTHILIOZMYWOAM-UHFFFAOYSA-N
MW284.24 g/mol
LogP2.79
Rot. Bonds2

About 2-(dimethylamino)-6-phenyl-5-(trifluoromethyl)-1,3-oxazin-4-one

2-(dimethylamino)-6-phenyl-5-(trifluoromethyl)-1,3-oxazin-4-one (PubChem CID 15001695) has the molecular formula C13H11F3N2O2 and a molecular weight of 284.24 g/mol. Its IUPAC name is 2-(dimethylamino)-6-phenyl-5-(trifluoromethyl)-1,3-oxazin-4-one.

Molecular Properties

Compound Name2-(dimethylamino)-6-phenyl-5-(trifluoromethyl)-1,3-oxazin-4-one
PubChem CID15001695
Molecular FormulaC13H11F3N2O2
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC Name2-(dimethylamino)-6-phenyl-5-(trifluoromethyl)-1,3-oxazin-4-one
SMILESCN(C)c1nc(=O)c(C(F)(F)F)c(-c2ccccc2)o1
InChIInChI=1S/C13H11F3N2O2/c1-18(2)12-17-11(19)9(13(14,15)16)10(20-12)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyBTHILIOZMYWOAM-UHFFFAOYSA-N
XLogP2.79
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Dimethylamino)-5-fluoro-6-phenyl-1,3-oxazin-4-one
CID 14948407
2-Amino-6-m-fluorophenyl-1,3-oxazine-4-one
CID 13370935
2-Amino-6-(2,6-difluorophenyl)-1,3-oxazin-4-one
CID 20226578
2-Amino-6-(2,4,6-trifluorophenyl)-1,3-oxazin-4-one
CID 20226588
3-(Difluoromethyl)-6-phenylmethoxypyrimidin-4-one
CID 21090118
2-Amino-6-(2-fluorophenyl)-1,3-oxazin-4-one
CID 53980974
2-Amino-6-(4-fluorophenyl)-1,3-oxazin-4-one
CID 54381577
2-Dimethylaminomethyleneamino-6-p-tolyl-1,3-oxazin-4-one
CID 129771497
2-(Benzyloxy)-5-fluoro-3-methylpyrimidin-4(3H)-one
CID 71347455
2-Amino-6-(4-methylphenyl)-1,3-oxazin-4-one
CID 11469739
2-amino-6-phenyl-4H-1,3-oxazin-4-one
CID 13370934
2-Amino-6-(3-methylphenyl)-1,3-oxazin-4-one
CID 53770698

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-6-phenyl-5-(trifluoromethyl)-1,3-oxazin-4-one?
The IUPAC name of 2-(dimethylamino)-6-phenyl-5-(trifluoromethyl)-1,3-oxazin-4-one (CID 15001695) is 2-(dimethylamino)-6-phenyl-5-(trifluoromethyl)-1,3-oxazin-4-one.
What is the SMILES notation for 2-(dimethylamino)-6-phenyl-5-(trifluoromethyl)-1,3-oxazin-4-one?
The canonical SMILES for 2-(dimethylamino)-6-phenyl-5-(trifluoromethyl)-1,3-oxazin-4-one is CN(C)c1nc(=O)c(C(F)(F)F)c(-c2ccccc2)o1.
What is the InChIKey of 2-(dimethylamino)-6-phenyl-5-(trifluoromethyl)-1,3-oxazin-4-one?
The InChIKey is BTHILIOZMYWOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2/c1-18(2)12-17-11(19)9(13(14,15)16)10(20-12)8-6-4-3-5-7-8/h3-7H,1-2H3.
What are the key properties of 2-(dimethylamino)-6-phenyl-5-(trifluoromethyl)-1,3-oxazin-4-one?
2-(dimethylamino)-6-phenyl-5-(trifluoromethyl)-1,3-oxazin-4-one has a molecular weight of 284.24 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-6-phenyl-5-(trifluoromethyl)-1,3-oxazin-4-one is sourced from PubChem (CID 15001695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).