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

C6H5F3N2O2 — CID 141281509

IUPAC4-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide
SMILESNC(=O)c1nocc1CC(F)(F)F
InChIInChI=1S/C6H5F3N2O2/c7-6(8,9)1-3-2-13-11-4(3)5(10)12/h2H,1H2,(H2,10,12)
InChIKeyDNAOYLHWOQTCRY-UHFFFAOYSA-N
MW194.11 g/mol
LogP0.88
Rot. Bonds2

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

4-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide (PubChem CID 141281509) has the molecular formula C6H5F3N2O2 and a molecular weight of 194.11 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide
PubChem CID141281509
Molecular FormulaC6H5F3N2O2
Molecular Weight194.11 g/mol
Exact Mass194.03
IUPAC Name4-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide
SMILESNC(=O)c1nocc1CC(F)(F)F
InChIInChI=1S/C6H5F3N2O2/c7-6(8,9)1-3-2-13-11-4(3)5(10)12/h2H,1H2,(H2,10,12)
InChIKeyDNAOYLHWOQTCRY-UHFFFAOYSA-N
XLogP0.88
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.11
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2,2,2-trifluoroethyl)-1,2-oxazole-3-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 4-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide (CID 141281509) is 4-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide is NC(=O)c1nocc1CC(F)(F)F.
What is the InChIKey of 4-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is DNAOYLHWOQTCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O2/c7-6(8,9)1-3-2-13-11-4(3)5(10)12/h2H,1H2,(H2,10,12).
What are the key properties of 4-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide?
4-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 194.11 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 141281509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).