2-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]ethanamine

C12H10F4N2O — CID 116642403

IUPAC2-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]ethanamine
SMILESNCCc1cc(-c2ccc(F)c(C(F)(F)F)c2)no1
InChIInChI=1S/C12H10F4N2O/c13-10-2-1-7(5-9(10)12(14,15)16)11-6-8(3-4-17)19-18-11/h1-2,5-6H,3-4,17H2
InChIKeyMVPJNPFBBKANFF-UHFFFAOYSA-N
MW274.22 g/mol
LogP3.00
Rot. Bonds3

About 2-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]ethanamine

2-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]ethanamine (PubChem CID 116642403) has the molecular formula C12H10F4N2O and a molecular weight of 274.22 g/mol. Its IUPAC name is 2-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]ethanamine
PubChem CID116642403
Molecular FormulaC12H10F4N2O
Molecular Weight274.22 g/mol
Exact Mass274.07
IUPAC Name2-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]ethanamine
SMILESNCCc1cc(-c2ccc(F)c(C(F)(F)F)c2)no1
InChIInChI=1S/C12H10F4N2O/c13-10-2-1-7(5-9(10)12(14,15)16)11-6-8(3-4-17)19-18-11/h1-2,5-6H,3-4,17H2
InChIKeyMVPJNPFBBKANFF-UHFFFAOYSA-N
XLogP3.00
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.22
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]ethanamine 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-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]ethanamine?
The IUPAC name of 2-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]ethanamine (CID 116642403) is 2-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]ethanamine.
What is the SMILES notation for 2-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]ethanamine?
The canonical SMILES for 2-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]ethanamine is NCCc1cc(-c2ccc(F)c(C(F)(F)F)c2)no1.
What is the InChIKey of 2-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]ethanamine?
The InChIKey is MVPJNPFBBKANFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F4N2O/c13-10-2-1-7(5-9(10)12(14,15)16)11-6-8(3-4-17)19-18-11/h1-2,5-6H,3-4,17H2.
What are the key properties of 2-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]ethanamine?
2-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]ethanamine has a molecular weight of 274.22 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]ethanamine is sourced from PubChem (CID 116642403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).