4-methyl-2-(trifluoromethyl)-2H-1,3-oxazol-5-one

C5H4F3NO2 — CID 14290092

IUPAC4-methyl-2-(trifluoromethyl)-2H-1,3-oxazol-5-one
SMILESCC1=NC(C(F)(F)F)OC1=O
InChIInChI=1S/C5H4F3NO2/c1-2-3(10)11-4(9-2)5(6,7)8/h4H,1H3
InChIKeyRJQVSFJIBQPCLA-UHFFFAOYSA-N
MW167.09 g/mol
LogP0.89
Rot. Bonds

About 4-methyl-2-(trifluoromethyl)-2H-1,3-oxazol-5-one

4-methyl-2-(trifluoromethyl)-2H-1,3-oxazol-5-one (PubChem CID 14290092) has the molecular formula C5H4F3NO2 and a molecular weight of 167.09 g/mol. Its IUPAC name is 4-methyl-2-(trifluoromethyl)-2H-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-methyl-2-(trifluoromethyl)-2H-1,3-oxazol-5-one
PubChem CID14290092
Molecular FormulaC5H4F3NO2
Molecular Weight167.09 g/mol
Exact Mass167.02
IUPAC Name4-methyl-2-(trifluoromethyl)-2H-1,3-oxazol-5-one
SMILESCC1=NC(C(F)(F)F)OC1=O
InChIInChI=1S/C5H4F3NO2/c1-2-3(10)11-4(9-2)5(6,7)8/h4H,1H3
InChIKeyRJQVSFJIBQPCLA-UHFFFAOYSA-N
XLogP0.89
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.09
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Propan-2-yl)-2-(trifluoromethyl)-2,5-dihydro-1,3-oxazol-5-one
CID 14290091
Methyl 2-(2,2,2-trifluoroethylimino)propanoate
CID 134862720
2,4-Dimethyl-5(2H)-oxazolone
CID 45086565
4-Propyl-2-(trifluoromethyl)-5(2H)-oxazolone
CID 12223674
4-ethyl-2-(trifluoromethyl)-2H-1,3-oxazol-5-one
CID 102120437
2-(difluoromethyl)-4-methyl-2H-1,3-oxazol-5-one
CID 11768726
(2S)-4-propan-2-yl-2-(trifluoromethyl)-2H-1,3-oxazol-5-one
CID 97184458
(2R)-4-propan-2-yl-2-(trifluoromethyl)-2H-1,3-oxazol-5-one
CID 97184459
2-Ethyl-4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-one
CID 149953669

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(trifluoromethyl)-2H-1,3-oxazol-5-one?
The IUPAC name of 4-methyl-2-(trifluoromethyl)-2H-1,3-oxazol-5-one (CID 14290092) is 4-methyl-2-(trifluoromethyl)-2H-1,3-oxazol-5-one.
What is the SMILES notation for 4-methyl-2-(trifluoromethyl)-2H-1,3-oxazol-5-one?
The canonical SMILES for 4-methyl-2-(trifluoromethyl)-2H-1,3-oxazol-5-one is CC1=NC(C(F)(F)F)OC1=O.
What is the InChIKey of 4-methyl-2-(trifluoromethyl)-2H-1,3-oxazol-5-one?
The InChIKey is RJQVSFJIBQPCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3NO2/c1-2-3(10)11-4(9-2)5(6,7)8/h4H,1H3.
What are the key properties of 4-methyl-2-(trifluoromethyl)-2H-1,3-oxazol-5-one?
4-methyl-2-(trifluoromethyl)-2H-1,3-oxazol-5-one has a molecular weight of 167.09 g/mol, XLogP of 0.89, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(trifluoromethyl)-2H-1,3-oxazol-5-one is sourced from PubChem (CID 14290092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).