2-(5-{1-[(2E)-3-(furan-2-yl)-2-methylprop-2-en-1-yl]pyrrolidin-2-yl}-1,2,4-oxadiazol-3-yl)pyridine

• ChemBase ID: 352869
• Molecular Formular: C19H20N4O2
• Molecular Mass: 336.3877
• Monoisotopic Mass: 336.1586259
• SMILES: n1c(onc1c1ncccc1)C1N(C/C(=C/c2occc2)/C)CCC1
• Canonical SMILES: C/C(=C\c1ccco1)/CN1CCCC1c1onc(n1)c1ccccn1
• InChI: InChI=1S/C19H20N4O2/c1-14(12-15-6-5-11-24-15)13-23-10-4-8-17(23)19-21-18(22-25-19)16-7-2-3-9-20-16/h2-3,5-7,9,11-12,17H,4,8,10,13H2,1H3/b14-12+
• InChIKey: JOTYGJBDHKIHIF-WYMLVPIESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-{1-[(2E)-3-(furan-2-yl)-2-methylprop-2-en-1-yl]pyrrolidin-2-yl}-1,2,4-oxadiazol-3-yl)pyridine
• IUPAC Traditional name: 2-(5-{1-[(2E)-3-(furan-2-yl)-2-methylprop-2-en-1-yl]pyrrolidin-2-yl}-1,2,4-oxadiazol-3-yl)pyridine
• Synonyms: 2-(5-{1-[(2E)-3-(2-furyl)-2-methylprop-2-en-1-yl]pyrrolidin-2-yl}-1,2,4-oxadiazol-3-yl)pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.9898996
• LogD (pH = 7.4): 3.469331
• Log P: 3.6740384
• Molar Refractivity: 106.3164 cm^3
• Polarizability: 36.650898 Å^3
• Polar Surface Area: 68.19 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.58
• LOG S: -2.85
• Polar Surface Area: 68.19 Å^2
• Rotatable Bonds: 5