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

C13H10F3NO2 — CID 102463238

IUPAC1-[4-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]methyl]phenyl]ethanone
SMILESCC(=O)c1ccc(Cc2cnc(C(F)(F)F)o2)cc1
InChIInChI=1S/C13H10F3NO2/c1-8(18)10-4-2-9(3-5-10)6-11-7-17-12(19-11)13(14,15)16/h2-5,7H,6H2,1H3
InChIKeyLIDGDLIHKMLHJX-UHFFFAOYSA-N
MW269.22 g/mol
LogP3.49
Rot. Bonds3

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

1-[4-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]methyl]phenyl]ethanone (PubChem CID 102463238) has the molecular formula C13H10F3NO2 and a molecular weight of 269.22 g/mol. Its IUPAC name is 1-[4-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]methyl]phenyl]ethanone
PubChem CID102463238
Molecular FormulaC13H10F3NO2
Molecular Weight269.22 g/mol
Exact Mass269.07
IUPAC Name1-[4-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]methyl]phenyl]ethanone
SMILESCC(=O)c1ccc(Cc2cnc(C(F)(F)F)o2)cc1
InChIInChI=1S/C13H10F3NO2/c1-8(18)10-4-2-9(3-5-10)6-11-7-17-12(19-11)13(14,15)16/h2-5,7H,6H2,1H3
InChIKeyLIDGDLIHKMLHJX-UHFFFAOYSA-N
XLogP3.49
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]methyl]phenyl]ethanone?
The IUPAC name of 1-[4-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]methyl]phenyl]ethanone (CID 102463238) is 1-[4-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]methyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]methyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]methyl]phenyl]ethanone is CC(=O)c1ccc(Cc2cnc(C(F)(F)F)o2)cc1.
What is the InChIKey of 1-[4-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]methyl]phenyl]ethanone?
The InChIKey is LIDGDLIHKMLHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO2/c1-8(18)10-4-2-9(3-5-10)6-11-7-17-12(19-11)13(14,15)16/h2-5,7H,6H2,1H3.
What are the key properties of 1-[4-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]methyl]phenyl]ethanone?
1-[4-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]methyl]phenyl]ethanone has a molecular weight of 269.22 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]methyl]phenyl]ethanone is sourced from PubChem (CID 102463238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).