5-[[2-(trifluoromethoxy)phenyl]sulfanylmethyl]-1,2-oxazole-3-carboxylic acid

C12H8F3NO4S — CID 11370600

IUPAC5-[[2-(trifluoromethoxy)phenyl]sulfanylmethyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(CSc2ccccc2OC(F)(F)F)on1
InChIInChI=1S/C12H8F3NO4S/c13-12(14,15)19-9-3-1-2-4-10(9)21-6-7-5-8(11(17)18)16-20-7/h1-5H,6H2,(H,17,18)
InChIKeyMZPIMGUUZVKBQE-UHFFFAOYSA-N
MW319.26 g/mol
LogP3.56
Rot. Bonds5

About 5-[[2-(trifluoromethoxy)phenyl]sulfanylmethyl]-1,2-oxazole-3-carboxylic acid

5-[[2-(trifluoromethoxy)phenyl]sulfanylmethyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 11370600) has the molecular formula C12H8F3NO4S and a molecular weight of 319.26 g/mol. Its IUPAC name is 5-[[2-(trifluoromethoxy)phenyl]sulfanylmethyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(trifluoromethoxy)phenyl]sulfanylmethyl]-1,2-oxazole-3-carboxylic acid
PubChem CID11370600
Molecular FormulaC12H8F3NO4S
Molecular Weight319.26 g/mol
Exact Mass319.01
IUPAC Name5-[[2-(trifluoromethoxy)phenyl]sulfanylmethyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(CSc2ccccc2OC(F)(F)F)on1
InChIInChI=1S/C12H8F3NO4S/c13-12(14,15)19-9-3-1-2-4-10(9)21-6-7-5-8(11(17)18)16-20-7/h1-5H,6H2,(H,17,18)
InChIKeyMZPIMGUUZVKBQE-UHFFFAOYSA-N
XLogP3.56
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.26
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[2-(trifluoromethoxy)phenyl]sulfanylmethyl]-1,2-oxazole-3-carboxylic acid 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 5-[[2-(trifluoromethoxy)phenyl]sulfanylmethyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[[2-(trifluoromethoxy)phenyl]sulfanylmethyl]-1,2-oxazole-3-carboxylic acid (CID 11370600) is 5-[[2-(trifluoromethoxy)phenyl]sulfanylmethyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[[2-(trifluoromethoxy)phenyl]sulfanylmethyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[[2-(trifluoromethoxy)phenyl]sulfanylmethyl]-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(CSc2ccccc2OC(F)(F)F)on1.
What is the InChIKey of 5-[[2-(trifluoromethoxy)phenyl]sulfanylmethyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is MZPIMGUUZVKBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO4S/c13-12(14,15)19-9-3-1-2-4-10(9)21-6-7-5-8(11(17)18)16-20-7/h1-5H,6H2,(H,17,18).
What are the key properties of 5-[[2-(trifluoromethoxy)phenyl]sulfanylmethyl]-1,2-oxazole-3-carboxylic acid?
5-[[2-(trifluoromethoxy)phenyl]sulfanylmethyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 319.26 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(trifluoromethoxy)phenyl]sulfanylmethyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 11370600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).