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

• ChemBase ID: 341351
• Molecular Formular: C17H14N4O2S
• Molecular Mass: 338.38366
• Monoisotopic Mass: 338.08374671
• SMILES: c1(nc(on1)CNCc1c(ncs1)c1ccccc1)c1occc1
• Canonical SMILES: c1ccc(cc1)c1ncsc1CNCc1onc(n1)c1ccco1
• InChI: InChI=1S/C17H14N4O2S/c1-2-5-12(6-3-1)16-14(24-11-19-16)9-18-10-15-20-17(21-23-15)13-7-4-8-22-13/h1-8,11,18H,9-10H2
• InChIKey: PXNDSPGNQCCXST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.365452
• LogD (pH = 7.4): 3.3428144
• Log P: 3.3928006
• Molar Refractivity: 101.4204 cm^3
• Polarizability: 36.11962 Å^3
• Polar Surface Area: 76.98 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: 1.65
• LOG S: -2.06
• Polar Surface Area: 76.98 Å^2
• Rotatable Bonds: 6