N-[(1-ethylpyrrolidin-2-yl)methyl]-3-{5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl}propanamide

• ChemBase ID: 776592
• Molecular Formular: C21H30N4O3
• Molecular Mass: 386.4879
• Monoisotopic Mass: 386.23179084
• SMILES: n1nc(oc1CCc1c(OC)cccc1)CCC(=O)NCC1N(CCC1)CC
• Canonical SMILES: CCN1CCCC1CNC(=O)CCc1nnc(o1)CCc1ccccc1OC
• InChI: InChI=1S/C21H30N4O3/c1-3-25-14-6-8-17(25)15-22-19(26)11-13-21-24-23-20(28-21)12-10-16-7-4-5-9-18(16)27-2/h4-5,7,9,17H,3,6,8,10-15H2,1-2H3,(H,22,26)
• InChIKey: CHJTVIMPCCASGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-ethylpyrrolidin-2-yl)methyl]-3-{5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl}propanamide
• IUPAC Traditional name: N-[(1-ethylpyrrolidin-2-yl)methyl]-3-{5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl}propanamide
• Synonyms: N-[(1-ethyl-2-pyrrolidinyl)methyl]-3-{5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl}propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.111162
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.7089585
• LogD (pH = 7.4): -0.049033534
• Log P: 1.4046655
• Molar Refractivity: 109.2422 cm^3
• Polarizability: 41.508575 Å^3
• Polar Surface Area: 80.49 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.0
• LOG S: -3.6
• Polar Surface Area: 80.49 Å^2
• Rotatable Bonds: 8