5-(3-benzyl-1,2,4-oxadiazol-5-yl)-2-[4-(methoxymethyl)piperidin-1-yl]pyridine

• ChemBase ID: 849734
• Molecular Formular: C21H24N4O2
• Molecular Mass: 364.44086
• Monoisotopic Mass: 364.18992603
• SMILES: n1c(onc1Cc1ccccc1)c1cnc(N2CCC(CC2)COC)cc1
• Canonical SMILES: COCC1CCN(CC1)c1ccc(cn1)c1onc(n1)Cc1ccccc1
• InChI: InChI=1S/C21H24N4O2/c1-26-15-17-9-11-25(12-10-17)20-8-7-18(14-22-20)21-23-19(24-27-21)13-16-5-3-2-4-6-16/h2-8,14,17H,9-13,15H2,1H3
• InChIKey: RAHOZXMAQXMUOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(3-benzyl-1,2,4-oxadiazol-5-yl)-2-[4-(methoxymethyl)piperidin-1-yl]pyridine
• IUPAC Traditional name: 5-(3-benzyl-1,2,4-oxadiazol-5-yl)-2-[4-(methoxymethyl)piperidin-1-yl]pyridine
• Synonyms: 5-(3-benzyl-1,2,4-oxadiazol-5-yl)-2-[4-(methoxymethyl)-1-piperidinyl]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.0161157
• LogD (pH = 7.4): 4.099445
• Log P: 4.100623
• Molar Refractivity: 117.0007 cm^3
• Polarizability: 40.163696 Å^3
• Polar Surface Area: 64.28 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.09
• LOG S: -5.58
• Polar Surface Area: 64.28 Å^2
• Rotatable Bonds: 5