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

C14H9F3N2O — CID 45484853

IUPACN-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine
SMILESFC(F)(F)c1ccc(Nc2noc3ccccc23)cc1
InChIInChI=1S/C14H9F3N2O/c15-14(16,17)9-5-7-10(8-6-9)18-13-11-3-1-2-4-12(11)20-19-13/h1-8H,(H,18,19)
InChIKeyWXMGPLMLQJARMG-UHFFFAOYSA-N
MW278.23 g/mol
LogP4.59
Rot. Bonds2

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

N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine (PubChem CID 45484853) has the molecular formula C14H9F3N2O and a molecular weight of 278.23 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine
PubChem CID45484853
Molecular FormulaC14H9F3N2O
Molecular Weight278.23 g/mol
Exact Mass278.07
IUPAC NameN-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine
SMILESFC(F)(F)c1ccc(Nc2noc3ccccc23)cc1
InChIInChI=1S/C14H9F3N2O/c15-14(16,17)9-5-7-10(8-6-9)18-13-11-3-1-2-4-12(11)20-19-13/h1-8H,(H,18,19)
InChIKeyWXMGPLMLQJARMG-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-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine?
The IUPAC name of N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine (CID 45484853) is N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine.
What is the SMILES notation for N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine?
The canonical SMILES for N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine is FC(F)(F)c1ccc(Nc2noc3ccccc23)cc1.
What is the InChIKey of N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine?
The InChIKey is WXMGPLMLQJARMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O/c15-14(16,17)9-5-7-10(8-6-9)18-13-11-3-1-2-4-12(11)20-19-13/h1-8H,(H,18,19).
What are the key properties of N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine?
N-[4-(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-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine is sourced from PubChem (CID 45484853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).