3-(trifluoromethyl)-1,2-oxazole-4-carboxamide

C5H3F3N2O2 — CID 66829245

IUPAC3-(trifluoromethyl)-1,2-oxazole-4-carboxamide
SMILESNC(=O)c1conc1C(F)(F)F
InChIInChI=1S/C5H3F3N2O2/c6-5(7,8)3-2(4(9)11)1-12-10-3/h1H,(H2,9,11)
InChIKeyRPCUHNOWPGCYGH-UHFFFAOYSA-N
MW180.09 g/mol
LogP0.79
Rot. Bonds1

About 3-(trifluoromethyl)-1,2-oxazole-4-carboxamide

3-(trifluoromethyl)-1,2-oxazole-4-carboxamide (PubChem CID 66829245) has the molecular formula C5H3F3N2O2 and a molecular weight of 180.09 g/mol. Its IUPAC name is 3-(trifluoromethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(trifluoromethyl)-1,2-oxazole-4-carboxamide
PubChem CID66829245
Molecular FormulaC5H3F3N2O2
Molecular Weight180.09 g/mol
Exact Mass180.01
IUPAC Name3-(trifluoromethyl)-1,2-oxazole-4-carboxamide
SMILESNC(=O)c1conc1C(F)(F)F
InChIInChI=1S/C5H3F3N2O2/c6-5(7,8)3-2(4(9)11)1-12-10-3/h1H,(H2,9,11)
InChIKeyRPCUHNOWPGCYGH-UHFFFAOYSA-N
XLogP0.79
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.09
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(trifluoromethyl)-1,2-oxazole-4-carboxamide 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-(trifluoromethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(trifluoromethyl)-1,2-oxazole-4-carboxamide (CID 66829245) is 3-(trifluoromethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(trifluoromethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(trifluoromethyl)-1,2-oxazole-4-carboxamide is NC(=O)c1conc1C(F)(F)F.
What is the InChIKey of 3-(trifluoromethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is RPCUHNOWPGCYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3N2O2/c6-5(7,8)3-2(4(9)11)1-12-10-3/h1H,(H2,9,11).
What are the key properties of 3-(trifluoromethyl)-1,2-oxazole-4-carboxamide?
3-(trifluoromethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 180.09 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 66829245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).