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

C12H8F3NO2 — CID 115084393

IUPAC1-[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethanone
SMILESCC(=O)c1coc(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C12H8F3NO2/c1-7(17)10-6-18-11(16-10)8-4-2-3-5-9(8)12(13,14)15/h2-6H,1H3
InChIKeyPHLGNYROIKNUTL-UHFFFAOYSA-N
MW255.19 g/mol
LogP3.56
Rot. Bonds2

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

1-[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethanone (PubChem CID 115084393) has the molecular formula C12H8F3NO2 and a molecular weight of 255.19 g/mol. Its IUPAC name is 1-[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethanone
PubChem CID115084393
Molecular FormulaC12H8F3NO2
Molecular Weight255.19 g/mol
Exact Mass255.05
IUPAC Name1-[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethanone
SMILESCC(=O)c1coc(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C12H8F3NO2/c1-7(17)10-6-18-11(16-10)8-4-2-3-5-9(8)12(13,14)15/h2-6H,1H3
InChIKeyPHLGNYROIKNUTL-UHFFFAOYSA-N
XLogP3.56
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.19
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone
CID 64542408
2-[2-(trifluoromethyl)phenyl]-4-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxymethyl]-1,3-oxazole
CID 158241679
1-[2-(furan-2-yl)-1,3-oxazol-4-yl]ethanone
CID 115083525
N-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 65288378
1-[2-(1,1-difluoroethyl)-1,3-oxazol-4-yl]ethanone
CID 84766773
N-[1-(3,5-difluoro-4-methylphenyl)ethyl]-2-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 76759521
2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 15957134
1-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]ethanone
CID 115084507
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
2-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 115079288
2-methyl-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 112694386
[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl 2,3,4,5,6,7,8,8a-octahydro-1H-naphthalene-4a-carboxylate
CID 166323044

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethanone?
The IUPAC name of 1-[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethanone (CID 115084393) is 1-[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethanone?
The canonical SMILES for 1-[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethanone is CC(=O)c1coc(-c2ccccc2C(F)(F)F)n1.
What is the InChIKey of 1-[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethanone?
The InChIKey is PHLGNYROIKNUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO2/c1-7(17)10-6-18-11(16-10)8-4-2-3-5-9(8)12(13,14)15/h2-6H,1H3.
What are the key properties of 1-[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethanone?
1-[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethanone has a molecular weight of 255.19 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethanone is sourced from PubChem (CID 115084393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).