6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine

C15H8F6N2O — CID 45484925

IUPAC6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine
SMILESFC(F)(F)c1ccc(Nc2noc3cc(C(F)(F)F)ccc23)cc1
InChIInChI=1S/C15H8F6N2O/c16-14(17,18)8-1-4-10(5-2-8)22-13-11-6-3-9(15(19,20)21)7-12(11)24-23-13/h1-7H,(H,22,23)
InChIKeyMLLUMEBAGMJYFX-UHFFFAOYSA-N
MW346.23 g/mol
LogP5.61
Rot. Bonds2

About 6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine

6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine (PubChem CID 45484925) has the molecular formula C15H8F6N2O and a molecular weight of 346.23 g/mol. Its IUPAC name is 6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine.

Molecular Properties

Compound Name6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine
PubChem CID45484925
Molecular FormulaC15H8F6N2O
Molecular Weight346.23 g/mol
Exact Mass346.05
IUPAC Name6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine
SMILESFC(F)(F)c1ccc(Nc2noc3cc(C(F)(F)F)ccc23)cc1
InChIInChI=1S/C15H8F6N2O/c16-14(17,18)8-1-4-10(5-2-8)22-13-11-6-3-9(15(19,20)21)7-12(11)24-23-13/h1-7H,(H,22,23)
InChIKeyMLLUMEBAGMJYFX-UHFFFAOYSA-N
XLogP5.61
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.23
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-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 6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine?
The IUPAC name of 6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine (CID 45484925) is 6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine.
What is the SMILES notation for 6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine?
The canonical SMILES for 6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine is FC(F)(F)c1ccc(Nc2noc3cc(C(F)(F)F)ccc23)cc1.
What is the InChIKey of 6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine?
The InChIKey is MLLUMEBAGMJYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F6N2O/c16-14(17,18)8-1-4-10(5-2-8)22-13-11-6-3-9(15(19,20)21)7-12(11)24-23-13/h1-7H,(H,22,23).
What are the key properties of 6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine?
6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine has a molecular weight of 346.23 g/mol, XLogP of 5.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine is sourced from PubChem (CID 45484925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).