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

C15H11F3N2O — CID 45484876

IUPACN-[[4-(trifluoromethyl)phenyl]methyl]-1,2-benzoxazol-3-amine
SMILESFC(F)(F)c1ccc(CNc2noc3ccccc23)cc1
InChIInChI=1S/C15H11F3N2O/c16-15(17,18)11-7-5-10(6-8-11)9-19-14-12-3-1-2-4-13(12)21-20-14/h1-8H,9H2,(H,19,20)
InChIKeySILJKGCTJSPORK-UHFFFAOYSA-N
MW292.26 g/mol
LogP4.46
Rot. Bonds3

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

N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-benzoxazol-3-amine (PubChem CID 45484876) has the molecular formula C15H11F3N2O and a molecular weight of 292.26 g/mol. Its IUPAC name is N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-benzoxazol-3-amine.

Molecular Properties

Compound NameN-[[4-(trifluoromethyl)phenyl]methyl]-1,2-benzoxazol-3-amine
PubChem CID45484876
Molecular FormulaC15H11F3N2O
Molecular Weight292.26 g/mol
Exact Mass292.08
IUPAC NameN-[[4-(trifluoromethyl)phenyl]methyl]-1,2-benzoxazol-3-amine
SMILESFC(F)(F)c1ccc(CNc2noc3ccccc23)cc1
InChIInChI=1S/C15H11F3N2O/c16-15(17,18)11-7-5-10(6-8-11)9-19-14-12-3-1-2-4-13(12)21-20-14/h1-8H,9H2,(H,19,20)
InChIKeySILJKGCTJSPORK-UHFFFAOYSA-N
XLogP4.46
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 54.46
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]methyl]-1,2-benzoxazol-3-amine?
The IUPAC name of N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-benzoxazol-3-amine (CID 45484876) is N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-benzoxazol-3-amine.
What is the SMILES notation for N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-benzoxazol-3-amine?
The canonical SMILES for N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-benzoxazol-3-amine is FC(F)(F)c1ccc(CNc2noc3ccccc23)cc1.
What is the InChIKey of N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-benzoxazol-3-amine?
The InChIKey is SILJKGCTJSPORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O/c16-15(17,18)11-7-5-10(6-8-11)9-19-14-12-3-1-2-4-13(12)21-20-14/h1-8H,9H2,(H,19,20).
What are the key properties of N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-benzoxazol-3-amine?
N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-benzoxazol-3-amine has a molecular weight of 292.26 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-benzoxazol-3-amine is sourced from PubChem (CID 45484876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).