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

C5H3F3N2O2 — CID 19786345

IUPAC2-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESNC(=O)c1coc(C(F)(F)F)n1
InChIInChI=1S/C5H3F3N2O2/c6-5(7,8)4-10-2(1-12-4)3(9)11/h1H,(H2,9,11)
InChIKeyFYOBAEYVOKXMFO-UHFFFAOYSA-N
MW180.09 g/mol
LogP0.79
Rot. Bonds1

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

2-(trifluoromethyl)-1,3-oxazole-4-carboxamide (PubChem CID 19786345) has the molecular formula C5H3F3N2O2 and a molecular weight of 180.09 g/mol. Its IUPAC name is 2-(trifluoromethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(trifluoromethyl)-1,3-oxazole-4-carboxamide
PubChem CID19786345
Molecular FormulaC5H3F3N2O2
Molecular Weight180.09 g/mol
Exact Mass180.01
IUPAC Name2-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESNC(=O)c1coc(C(F)(F)F)n1
InChIInChI=1S/C5H3F3N2O2/c6-5(7,8)4-10-2(1-12-4)3(9)11/h1H,(H2,9,11)
InChIKeyFYOBAEYVOKXMFO-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 2-(trifluoromethyl)-1,3-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 2-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(trifluoromethyl)-1,3-oxazole-4-carboxamide (CID 19786345) is 2-(trifluoromethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(trifluoromethyl)-1,3-oxazole-4-carboxamide is NC(=O)c1coc(C(F)(F)F)n1.
What is the InChIKey of 2-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is FYOBAEYVOKXMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3N2O2/c6-5(7,8)4-10-2(1-12-4)3(9)11/h1H,(H2,9,11).
What are the key properties of 2-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
2-(trifluoromethyl)-1,3-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 2-(trifluoromethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 19786345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).