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

C14H9F3N2O — CID 45484864

IUPACN-[2-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine
SMILESFC(F)(F)c1ccccc1Nc1noc2ccccc12
InChIInChI=1S/C14H9F3N2O/c15-14(16,17)10-6-2-3-7-11(10)18-13-9-5-1-4-8-12(9)20-19-13/h1-8H,(H,18,19)
InChIKeyUNNTZHMGTYIUTH-UHFFFAOYSA-N
MW278.23 g/mol
LogP4.59
Rot. Bonds2

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

N-[2-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine (PubChem CID 45484864) has the molecular formula C14H9F3N2O and a molecular weight of 278.23 g/mol. Its IUPAC name is N-[2-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine.

Molecular Properties

Compound NameN-[2-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine
PubChem CID45484864
Molecular FormulaC14H9F3N2O
Molecular Weight278.23 g/mol
Exact Mass278.07
IUPAC NameN-[2-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine
SMILESFC(F)(F)c1ccccc1Nc1noc2ccccc12
InChIInChI=1S/C14H9F3N2O/c15-14(16,17)10-6-2-3-7-11(10)18-13-9-5-1-4-8-12(9)20-19-13/h1-8H,(H,18,19)
InChIKeyUNNTZHMGTYIUTH-UHFFFAOYSA-N
XLogP4.59
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine?
The IUPAC name of N-[2-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine (CID 45484864) is N-[2-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine.
What is the SMILES notation for N-[2-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine?
The canonical SMILES for N-[2-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine is FC(F)(F)c1ccccc1Nc1noc2ccccc12.
What is the InChIKey of N-[2-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine?
The InChIKey is UNNTZHMGTYIUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O/c15-14(16,17)10-6-2-3-7-11(10)18-13-9-5-1-4-8-12(9)20-19-13/h1-8H,(H,18,19).
What are the key properties of N-[2-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine?
N-[2-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine has a molecular weight of 278.23 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine is sourced from PubChem (CID 45484864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).