3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]-N-(quinolin-6-ylmethyl)propanamide

• ChemBase ID: 383938
• Molecular Formular: C23H22N4O2
• Molecular Mass: 386.44638
• Monoisotopic Mass: 386.17427596
• SMILES: n1nc(oc1CCc1ccccc1)CCC(=O)NCc1cc2c(nccc2)cc1
• Canonical SMILES: O=C(CCc1nnc(o1)CCc1ccccc1)NCc1ccc2c(c1)cccn2
• InChI: InChI=1S/C23H22N4O2/c28-21(25-16-18-8-10-20-19(15-18)7-4-14-24-20)11-13-23-27-26-22(29-23)12-9-17-5-2-1-3-6-17/h1-8,10,14-15H,9,11-13,16H2,(H,25,28)
• InChIKey: PSNYPJBVAVSKMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]-N-(quinolin-6-ylmethyl)propanamide
• IUPAC Traditional name: 3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]-N-(quinolin-6-ylmethyl)propanamide
• Synonyms: 3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]-N-(6-quinolinylmethyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.921711
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.5671048
• LogD (pH = 7.4): 2.6029685
• Log P: 2.6034474
• Molar Refractivity: 111.334 cm^3
• Polarizability: 43.34073 Å^3
• Polar Surface Area: 80.91 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.22
• LOG S: -5.7
• Polar Surface Area: 80.91 Å^2
• Rotatable Bonds: 8