5-(2,2,2-trifluoroethyl)-1,2-oxazol-3-amine

C5H5F3N2O — CID 126544685

IUPAC5-(2,2,2-trifluoroethyl)-1,2-oxazol-3-amine
SMILESNc1cc(CC(F)(F)F)on1
InChIInChI=1S/C5H5F3N2O/c6-5(7,8)2-3-1-4(9)10-11-3/h1H,2H2,(H2,9,10)
InChIKeyHLKLANXPCKTZII-UHFFFAOYSA-N
MW166.10 g/mol
LogP1.36
Rot. Bonds1

About 5-(2,2,2-trifluoroethyl)-1,2-oxazol-3-amine

5-(2,2,2-trifluoroethyl)-1,2-oxazol-3-amine (PubChem CID 126544685) has the molecular formula C5H5F3N2O and a molecular weight of 166.10 g/mol. Its IUPAC name is 5-(2,2,2-trifluoroethyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2,2,2-trifluoroethyl)-1,2-oxazol-3-amine
PubChem CID126544685
Molecular FormulaC5H5F3N2O
Molecular Weight166.10 g/mol
Exact Mass166.04
IUPAC Name5-(2,2,2-trifluoroethyl)-1,2-oxazol-3-amine
SMILESNc1cc(CC(F)(F)F)on1
InChIInChI=1S/C5H5F3N2O/c6-5(7,8)2-3-1-4(9)10-11-3/h1H,2H2,(H2,9,10)
InChIKeyHLKLANXPCKTZII-UHFFFAOYSA-N
XLogP1.36
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.10
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(2,2,2-trifluoroethyl)-1,2-oxazol-3-amine 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 5-(2,2,2-trifluoroethyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(2,2,2-trifluoroethyl)-1,2-oxazol-3-amine (CID 126544685) is 5-(2,2,2-trifluoroethyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2,2,2-trifluoroethyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2,2,2-trifluoroethyl)-1,2-oxazol-3-amine is Nc1cc(CC(F)(F)F)on1.
What is the InChIKey of 5-(2,2,2-trifluoroethyl)-1,2-oxazol-3-amine?
The InChIKey is HLKLANXPCKTZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2O/c6-5(7,8)2-3-1-4(9)10-11-3/h1H,2H2,(H2,9,10).
What are the key properties of 5-(2,2,2-trifluoroethyl)-1,2-oxazol-3-amine?
5-(2,2,2-trifluoroethyl)-1,2-oxazol-3-amine has a molecular weight of 166.10 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,2-trifluoroethyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 126544685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).