1-(4-fluorophenyl)-2-[2-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone

C12H7F4NO2 — CID 15239225

IUPAC1-(4-fluorophenyl)-2-[2-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
SMILESO=C(Cc1cnc(C(F)(F)F)o1)c1ccc(F)cc1
InChIInChI=1S/C12H7F4NO2/c13-8-3-1-7(2-4-8)10(18)5-9-6-17-11(19-9)12(14,15)16/h1-4,6H,5H2
InChIKeyXGMFXPQWFKTWFE-UHFFFAOYSA-N
MW273.19 g/mol
LogP3.26
Rot. Bonds3

About 1-(4-fluorophenyl)-2-[2-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone

1-(4-fluorophenyl)-2-[2-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone (PubChem CID 15239225) has the molecular formula C12H7F4NO2 and a molecular weight of 273.19 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[2-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[2-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
PubChem CID15239225
Molecular FormulaC12H7F4NO2
Molecular Weight273.19 g/mol
Exact Mass273.04
IUPAC Name1-(4-fluorophenyl)-2-[2-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
SMILESO=C(Cc1cnc(C(F)(F)F)o1)c1ccc(F)cc1
InChIInChI=1S/C12H7F4NO2/c13-8-3-1-7(2-4-8)10(18)5-9-6-17-11(19-9)12(14,15)16/h1-4,6H,5H2
InChIKeyXGMFXPQWFKTWFE-UHFFFAOYSA-N
XLogP3.26
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.19
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-Phenyl-1-(5-(trifluoromethyl)oxazol-2-yl)heptan-1-one
CID 11991896
2-Methyl-5-Phenyl-1,3-Oxazole
CID 248491
1-(5-Acetyl-1,3-oxazol-2-yl)-7-phenylheptan-1-one
CID 11991811
7-Phenyl-1-(5-(2,2,2-trifluoroacetyl)oxazol-2-yl)heptan-1-one
CID 11991812
3-(4-Phenylphenyl)-1-[5-(2,2,2-trifluoroacetyl)-1,3-oxazol-2-yl]propan-1-one
CID 24801731
5-Phenyl-2-(trifluoromethyl)oxazole
CID 21573050
1-[(5-Phenyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
CID 7998966
2,2,2-Trifluoro-1-(5-phenyl-1,3-oxazol-2-yl)ethanone
CID 83389105
2,2,2-Trifluoro-1-(5-phenyl-1,3-oxazol-2-yl)ethane-1,1-diol
CID 134997974
2-(Difluoromethyl)-5-phenyl-1,3-oxazole
CID 166443124
5-Phenyl-2-propyl-1,3-oxazole
CID 14665986
2-(Bromomethyl)-5-(4-fluorophenyl)oxazole
CID 4962511

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[2-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[2-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone (CID 15239225) is 1-(4-fluorophenyl)-2-[2-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[2-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[2-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone is O=C(Cc1cnc(C(F)(F)F)o1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[2-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone?
The InChIKey is XGMFXPQWFKTWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F4NO2/c13-8-3-1-7(2-4-8)10(18)5-9-6-17-11(19-9)12(14,15)16/h1-4,6H,5H2.
What are the key properties of 1-(4-fluorophenyl)-2-[2-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone?
1-(4-fluorophenyl)-2-[2-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone has a molecular weight of 273.19 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[2-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone is sourced from PubChem (CID 15239225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).