(2-ethoxy-5-{[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl}phenyl)methyl acetate

• ChemBase ID: 428722
• Molecular Formular: C20H27N3O4
• Molecular Mass: 373.44608
• Monoisotopic Mass: 373.20015636
• SMILES: c1(nc(no1)C)C1N(Cc2cc(c(cc2)OCC)COC(=O)C)CCCC1
• Canonical SMILES: CCOc1ccc(cc1COC(=O)C)CN1CCCCC1c1onc(n1)C
• InChI: InChI=1S/C20H27N3O4/c1-4-25-19-9-8-16(11-17(19)13-26-15(3)24)12-23-10-6-5-7-18(23)20-21-14(2)22-27-20/h8-9,11,18H,4-7,10,12-13H2,1-3H3
• InChIKey: AYFAAWXSGMSHDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-ethoxy-5-{[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl}phenyl)methyl acetate
• IUPAC Traditional name: (2-ethoxy-5-{[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl}phenyl)methyl acetate
• Synonyms: 2-ethoxy-5-{[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl}benzyl acetate

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.7101878
• LogD (pH = 7.4): 2.831423
• Log P: 2.905249
• Molar Refractivity: 102.8473 cm^3
• Polarizability: 39.301373 Å^3
• Polar Surface Area: 77.69 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 2.81
• LOG S: -3.32
• Polar Surface Area: 77.69 Å^2
• Rotatable Bonds: 8