4-[5-methoxy-2-(pyrrolidine-1-carbonyl)phenoxy]-1-(1,2,4-oxadiazol-3-ylmethyl)piperidine

• ChemBase ID: 632994
• Molecular Formular: C20H26N4O4
• Molecular Mass: 386.44484
• Monoisotopic Mass: 386.19540533
• SMILES: c1(C(=O)N2CCCC2)c(cc(cc1)OC)OC1CCN(Cc2ncon2)CC1
• Canonical SMILES: COc1ccc(c(c1)OC1CCN(CC1)Cc1nocn1)C(=O)N1CCCC1
• InChI: InChI=1S/C20H26N4O4/c1-26-16-4-5-17(20(25)24-8-2-3-9-24)18(12-16)28-15-6-10-23(11-7-15)13-19-21-14-27-22-19/h4-5,12,14-15H,2-3,6-11,13H2,1H3
• InChIKey: OXBWVFWMJQGEBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[5-methoxy-2-(pyrrolidine-1-carbonyl)phenoxy]-1-(1,2,4-oxadiazol-3-ylmethyl)piperidine
• IUPAC Traditional name: 4-[5-methoxy-2-(pyrrolidine-1-carbonyl)phenoxy]-1-(1,2,4-oxadiazol-3-ylmethyl)piperidine
• Synonyms: 4-[5-methoxy-2-(pyrrolidin-1-ylcarbonyl)phenoxy]-1-(1,2,4-oxadiazol-3-ylmethyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 0.8536768
• LogD (pH = 7.4): 1.2185564
• Log P: 1.2259116
• Molar Refractivity: 105.5877 cm^3
• Polarizability: 39.59291 Å^3
• Polar Surface Area: 80.93 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 1.37
• LOG S: -3.19
• Polar Surface Area: 80.93 Å^2
• Rotatable Bonds: 6