3-[4-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxylic acid

C11H6F3NO3 — CID 43150134

IUPAC3-[4-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(C(F)(F)F)cc2)no1
InChIInChI=1S/C11H6F3NO3/c12-11(13,14)7-3-1-6(2-4-7)8-5-9(10(16)17)18-15-8/h1-5H,(H,16,17)
InChIKeyWICSYMYKLPSQHW-UHFFFAOYSA-N
MW257.17 g/mol
LogP3.06
Rot. Bonds2

About 3-[4-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxylic acid

3-[4-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 43150134) has the molecular formula C11H6F3NO3 and a molecular weight of 257.17 g/mol. Its IUPAC name is 3-[4-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[4-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxylic acid
PubChem CID43150134
Molecular FormulaC11H6F3NO3
Molecular Weight257.17 g/mol
Exact Mass257.03
IUPAC Name3-[4-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(C(F)(F)F)cc2)no1
InChIInChI=1S/C11H6F3NO3/c12-11(13,14)7-3-1-6(2-4-7)8-5-9(10(16)17)18-15-8/h1-5H,(H,16,17)
InChIKeyWICSYMYKLPSQHW-UHFFFAOYSA-N
XLogP3.06
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[4-(trifluoromethyl)phenyl]-1,2-oxazole-5-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

Related Compounds

5-Phenyl-3-isoxazolecarboxylic acid
CID 151916
3-Phenylisoxazole-5-carboxylic Acid
CID 737474
5-(4-Fluorophenyl)-1,2-oxazole-3-carboxylic acid
CID 1096392
CID 164585602
CID 164585602
Isoxazole, 5-(4-methylphenyl)-3-phenyl-
CID 296680
Anthroxanic acid
CID 258162
5-(4-Methylphenyl)isoxazole-3-carboxylic acid
CID 973883
2-(4-(3,5-Dimethylisoxazol-4-yl)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 10131968
(E)-3-(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-5-methylisoxazol-3-yl)acrylonitrile
CID 10134098
3-(4-Chlorophenyl)-5-isoxazolecarboxylic acid
CID 2763372
(3-Benzyl-1,2-oxazol-5-yl)methanol
CID 10487884
(5-(4-Methylphenyl)-3-isoxazolyl)methanol
CID 23006256

Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[4-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxylic acid (CID 43150134) is 3-[4-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[4-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[4-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxylic acid is O=C(O)c1cc(-c2ccc(C(F)(F)F)cc2)no1.
What is the InChIKey of 3-[4-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is WICSYMYKLPSQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3NO3/c12-11(13,14)7-3-1-6(2-4-7)8-5-9(10(16)17)18-15-8/h1-5H,(H,16,17).
What are the key properties of 3-[4-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxylic acid?
3-[4-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 257.17 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 43150134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).