5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine

C10H7F3N2O — CID 13035545

IUPAC5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine
SMILESNc1cc(-c2ccc(C(F)(F)F)cc2)on1
InChIInChI=1S/C10H7F3N2O/c11-10(12,13)7-3-1-6(2-4-7)8-5-9(14)15-16-8/h1-5H,(H2,14,15)
InChIKeyIQMLJYWQRTVYSY-UHFFFAOYSA-N
MW228.17 g/mol
LogP2.94
Rot. Bonds1

About 5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine

5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine (PubChem CID 13035545) has the molecular formula C10H7F3N2O and a molecular weight of 228.17 g/mol. Its IUPAC name is 5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine
PubChem CID13035545
Molecular FormulaC10H7F3N2O
Molecular Weight228.17 g/mol
Exact Mass228.05
IUPAC Name5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine
SMILESNc1cc(-c2ccc(C(F)(F)F)cc2)on1
InChIInChI=1S/C10H7F3N2O/c11-10(12,13)7-3-1-6(2-4-7)8-5-9(14)15-16-8/h1-5H,(H2,14,15)
InChIKeyIQMLJYWQRTVYSY-UHFFFAOYSA-N
XLogP2.94
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[4-(trifluoromethyl)phenyl]-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-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine?
The IUPAC name of 5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine (CID 13035545) is 5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine.
What is the SMILES notation for 5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine?
The canonical SMILES for 5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine is Nc1cc(-c2ccc(C(F)(F)F)cc2)on1.
What is the InChIKey of 5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine?
The InChIKey is IQMLJYWQRTVYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O/c11-10(12,13)7-3-1-6(2-4-7)8-5-9(14)15-16-8/h1-5H,(H2,14,15).
What are the key properties of 5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine?
5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine has a molecular weight of 228.17 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 13035545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).