3-(trifluoromethylsulfonylmethyl)-1,2-oxazole

C5H4F3NO3S — CID 130685315

IUPAC3-(trifluoromethylsulfonylmethyl)-1,2-oxazole
SMILESO=S(=O)(Cc1ccon1)C(F)(F)F
InChIInChI=1S/C5H4F3NO3S/c6-5(7,8)13(10,11)3-4-1-2-12-9-4/h1-2H,3H2
InChIKeyGYZHWLBLXVFGIN-UHFFFAOYSA-N
MW215.15 g/mol
LogP1.11
Rot. Bonds2

About 3-(trifluoromethylsulfonylmethyl)-1,2-oxazole

3-(trifluoromethylsulfonylmethyl)-1,2-oxazole (PubChem CID 130685315) has the molecular formula C5H4F3NO3S and a molecular weight of 215.15 g/mol. Its IUPAC name is 3-(trifluoromethylsulfonylmethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(trifluoromethylsulfonylmethyl)-1,2-oxazole
PubChem CID130685315
Molecular FormulaC5H4F3NO3S
Molecular Weight215.15 g/mol
Exact Mass214.99
IUPAC Name3-(trifluoromethylsulfonylmethyl)-1,2-oxazole
SMILESO=S(=O)(Cc1ccon1)C(F)(F)F
InChIInChI=1S/C5H4F3NO3S/c6-5(7,8)13(10,11)3-4-1-2-12-9-4/h1-2H,3H2
InChIKeyGYZHWLBLXVFGIN-UHFFFAOYSA-N
XLogP1.11
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.15
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(trifluoromethylsulfonylmethyl)-1,2-oxazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethylsulfonylmethyl)-1,2-oxazole?
The IUPAC name of 3-(trifluoromethylsulfonylmethyl)-1,2-oxazole (CID 130685315) is 3-(trifluoromethylsulfonylmethyl)-1,2-oxazole.
What is the SMILES notation for 3-(trifluoromethylsulfonylmethyl)-1,2-oxazole?
The canonical SMILES for 3-(trifluoromethylsulfonylmethyl)-1,2-oxazole is O=S(=O)(Cc1ccon1)C(F)(F)F.
What is the InChIKey of 3-(trifluoromethylsulfonylmethyl)-1,2-oxazole?
The InChIKey is GYZHWLBLXVFGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3NO3S/c6-5(7,8)13(10,11)3-4-1-2-12-9-4/h1-2H,3H2.
What are the key properties of 3-(trifluoromethylsulfonylmethyl)-1,2-oxazole?
3-(trifluoromethylsulfonylmethyl)-1,2-oxazole has a molecular weight of 215.15 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethylsulfonylmethyl)-1,2-oxazole is sourced from PubChem (CID 130685315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).