3-pyridin-2-yl-5-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid

C10H5F3N2O3 — CID 150237259

IUPAC3-pyridin-2-yl-5-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid
SMILESO=C(O)c1c(-c2ccccn2)noc1C(F)(F)F
InChIInChI=1S/C10H5F3N2O3/c11-10(12,13)8-6(9(16)17)7(15-18-8)5-3-1-2-4-14-5/h1-4H,(H,16,17)
InChIKeyFWTTZQDXRCPXLZ-UHFFFAOYSA-N
MW258.15 g/mol
LogP2.45
Rot. Bonds2

About 3-pyridin-2-yl-5-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid

3-pyridin-2-yl-5-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid (PubChem CID 150237259) has the molecular formula C10H5F3N2O3 and a molecular weight of 258.15 g/mol. Its IUPAC name is 3-pyridin-2-yl-5-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name3-pyridin-2-yl-5-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid
PubChem CID150237259
Molecular FormulaC10H5F3N2O3
Molecular Weight258.15 g/mol
Exact Mass258.03
IUPAC Name3-pyridin-2-yl-5-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid
SMILESO=C(O)c1c(-c2ccccn2)noc1C(F)(F)F
InChIInChI=1S/C10H5F3N2O3/c11-10(12,13)8-6(9(16)17)7(15-18-8)5-3-1-2-4-14-5/h1-4H,(H,16,17)
InChIKeyFWTTZQDXRCPXLZ-UHFFFAOYSA-N
XLogP2.45
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.15
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-pyridin-2-yl-5-(trifluoromethyl)-1,2-oxazole-4-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 3-pyridin-2-yl-5-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 3-pyridin-2-yl-5-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid (CID 150237259) is 3-pyridin-2-yl-5-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 3-pyridin-2-yl-5-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 3-pyridin-2-yl-5-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid is O=C(O)c1c(-c2ccccn2)noc1C(F)(F)F.
What is the InChIKey of 3-pyridin-2-yl-5-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid?
The InChIKey is FWTTZQDXRCPXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3N2O3/c11-10(12,13)8-6(9(16)17)7(15-18-8)5-3-1-2-4-14-5/h1-4H,(H,16,17).
What are the key properties of 3-pyridin-2-yl-5-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid?
3-pyridin-2-yl-5-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid has a molecular weight of 258.15 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-5-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 150237259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).