2-[3-(methoxymethyl)pyrrolidin-1-yl]-5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyridine

• ChemBase ID: 740815
• Molecular Formular: C22H26N4O2
• Molecular Mass: 378.46744
• Monoisotopic Mass: 378.20557609
• SMILES: n1c(onc1CCCc1ccccc1)c1cnc(N2CC(CC2)COC)cc1
• Canonical SMILES: COCC1CCN(C1)c1ccc(cn1)c1onc(n1)CCCc1ccccc1
• InChI: InChI=1S/C22H26N4O2/c1-27-16-18-12-13-26(15-18)21-11-10-19(14-23-21)22-24-20(25-28-22)9-5-8-17-6-3-2-4-7-17/h2-4,6-7,10-11,14,18H,5,8-9,12-13,15-16H2,1H3
• InChIKey: FNMRZYHHGXKNAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.4822373
• LogD (pH = 7.4): 4.56501
• Log P: 4.5661798
• Molar Refractivity: 121.5029 cm^3
• Polarizability: 41.93241 Å^3
• Polar Surface Area: 64.28 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.9
• LOG S: -5.29
• Polar Surface Area: 64.28 Å^2
• Rotatable Bonds: 8