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

C7H6F3NO2 — CID 57497166

IUPAC1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone
SMILESCC(=O)c1nc(C)oc1C(F)(F)F
InChIInChI=1S/C7H6F3NO2/c1-3(12)5-6(7(8,9)10)13-4(2)11-5/h1-2H3
InChIKeyXLKLARJPKAZULE-UHFFFAOYSA-N
MW193.12 g/mol
LogP2.20
Rot. Bonds1

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

1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone (PubChem CID 57497166) has the molecular formula C7H6F3NO2 and a molecular weight of 193.12 g/mol. Its IUPAC name is 1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone
PubChem CID57497166
Molecular FormulaC7H6F3NO2
Molecular Weight193.12 g/mol
Exact Mass193.04
IUPAC Name1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone
SMILESCC(=O)c1nc(C)oc1C(F)(F)F
InChIInChI=1S/C7H6F3NO2/c1-3(12)5-6(7(8,9)10)13-4(2)11-5/h1-2H3
InChIKeyXLKLARJPKAZULE-UHFFFAOYSA-N
XLogP2.20
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.12
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone?
The IUPAC name of 1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone (CID 57497166) is 1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone?
The canonical SMILES for 1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone is CC(=O)c1nc(C)oc1C(F)(F)F.
What is the InChIKey of 1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone?
The InChIKey is XLKLARJPKAZULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO2/c1-3(12)5-6(7(8,9)10)13-4(2)11-5/h1-2H3.
What are the key properties of 1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone?
1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone has a molecular weight of 193.12 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone is sourced from PubChem (CID 57497166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).