{[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl}({[2-(2-methyl-1H-imidazol-1-yl)phenyl]methyl})amine

• ChemBase ID: 622638
• Molecular Formular: C18H17N5O2
• Molecular Mass: 335.35988
• Monoisotopic Mass: 335.13822481
• SMILES: c1(nc(on1)CNCc1c(n2c(ncc2)C)cccc1)c1occc1
• Canonical SMILES: Cc1nccn1c1ccccc1CNCc1onc(n1)c1ccco1
• InChI: InChI=1S/C18H17N5O2/c1-13-20-8-9-23(13)15-6-3-2-5-14(15)11-19-12-17-21-18(22-25-17)16-7-4-10-24-16/h2-10,19H,11-12H2,1H3
• InChIKey: FFEGOWIZTBGNME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl}({[2-(2-methyl-1H-imidazol-1-yl)phenyl]methyl})amine
• IUPAC Traditional name: {[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl}({[2-(2-methylimidazol-1-yl)phenyl]methyl})amine
• Synonyms: 1-[3-(2-furyl)-1,2,4-oxadiazol-5-yl]-N-[2-(2-methyl-1H-imidazol-1-yl)benzyl]methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.048748475
• LogD (pH = 7.4): 2.2842698
• Log P: 2.5600636
• Molar Refractivity: 114.0528 cm^3
• Polarizability: 36.246414 Å^3
• Polar Surface Area: 81.91 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.51
• LOG S: -1.93
• Polar Surface Area: 81.91 Å^2
• Rotatable Bonds: 6