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

C7H6F3NO2 — CID 82402402

IUPAC1-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]ethanone
SMILESCC(=O)c1noc(C(F)(F)F)c1C
InChIInChI=1S/C7H6F3NO2/c1-3-5(4(2)12)11-13-6(3)7(8,9)10/h1-2H3
InChIKeyZVQFYNMLGGRDIO-UHFFFAOYSA-N
MW193.12 g/mol
LogP2.20
Rot. Bonds1

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

1-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]ethanone (PubChem CID 82402402) has the molecular formula C7H6F3NO2 and a molecular weight of 193.12 g/mol. Its IUPAC name is 1-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]ethanone
PubChem CID82402402
Molecular FormulaC7H6F3NO2
Molecular Weight193.12 g/mol
Exact Mass193.04
IUPAC Name1-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]ethanone
SMILESCC(=O)c1noc(C(F)(F)F)c1C
InChIInChI=1S/C7H6F3NO2/c1-3-5(4(2)12)11-13-6(3)7(8,9)10/h1-2H3
InChIKeyZVQFYNMLGGRDIO-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4,5-Dimethylisoxazol-3-yl)ethanone
CID 71434463
5-(Difluoromethyl)-3,4-dimethyl-1,2-oxazole
CID 90397373
1-[5-(Difluoromethyl)-1,2-oxazol-3-yl]ethan-1-one
CID 132353700
4,5-Diethyl-3-(trifluoromethyl)-1,2-oxazole
CID 135028659
4-Ethyl-5-methyl-3-(trifluoromethyl)-1,2-oxazole
CID 18735152
3,5-Dimethyl-4-(trifluoromethyl)-1,2-oxazole
CID 20719701
3,4-Dimethyl-5-(trifluoromethyl)-1,2-oxazole
CID 45099280
3-Isobutyl-4-(trifluoromethyl)isoxazole-5-carbonyl fluoride
CID 58374162
4,5-Dimethyl-3-(trifluoromethyl)-1,2-oxazole
CID 59936643
3-Methyl-5-(2-methylpropyl)-4-(trifluoromethyl)-1,2-oxazole
CID 68193136
3,5-Ditert-butyl-4-(trifluoromethyl)-1,2-oxazole
CID 71263242
3-Tert-butyl-5-ethyl-4-(trifluoromethyl)-1,2-oxazole
CID 71263687

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]ethanone?
The IUPAC name of 1-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]ethanone (CID 82402402) is 1-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]ethanone.
What is the SMILES notation for 1-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]ethanone?
The canonical SMILES for 1-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]ethanone is CC(=O)c1noc(C(F)(F)F)c1C.
What is the InChIKey of 1-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]ethanone?
The InChIKey is ZVQFYNMLGGRDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO2/c1-3-5(4(2)12)11-13-6(3)7(8,9)10/h1-2H3.
What are the key properties of 1-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]ethanone?
1-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-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-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]ethanone is sourced from PubChem (CID 82402402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).