5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-[4-(pyrrolidin-1-yl)piperidin-1-yl]pyridine

• ChemBase ID: 852141
• Molecular Formular: C19H27N5O2
• Molecular Mass: 357.44998
• Monoisotopic Mass: 357.21647513
• SMILES: n1c(onc1CCOC)c1cnc(N2CCC(N3CCCC3)CC2)cc1
• Canonical SMILES: COCCc1noc(n1)c1ccc(nc1)N1CCC(CC1)N1CCCC1
• InChI: InChI=1S/C19H27N5O2/c1-25-13-8-17-21-19(26-22-17)15-4-5-18(20-14-15)24-11-6-16(7-12-24)23-9-2-3-10-23/h4-5,14,16H,2-3,6-13H2,1H3
• InChIKey: NEFMYBLFPIMSGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -1.2751834
• LogD (pH = 7.4): -0.026726969
• Log P: 2.3224385
• Molar Refractivity: 113.1302 cm^3
• Polarizability: 38.74204 Å^3
• Polar Surface Area: 67.52 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.35
• LOG S: -2.81
• Polar Surface Area: 67.52 Å^2
• Rotatable Bonds: 6