N-methyl-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-3-ylmethyl)propanamide

• ChemBase ID: 609788
• Molecular Formular: C22H26N4O2
• Molecular Mass: 378.46744
• Monoisotopic Mass: 378.20557609
• SMILES: n1nc(oc1CCC(=O)N(Cc1cnccc1)C)CCCCc1ccccc1
• Canonical SMILES: O=C(N(Cc1cccnc1)C)CCc1nnc(o1)CCCCc1ccccc1
• InChI: InChI=1S/C22H26N4O2/c1-26(17-19-11-7-15-23-16-19)22(27)14-13-21-25-24-20(28-21)12-6-5-10-18-8-3-2-4-9-18/h2-4,7-9,11,15-16H,5-6,10,12-14,17H2,1H3
• InChIKey: AKYSZHZNWOTAGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-3-ylmethyl)propanamide
• IUPAC Traditional name: N-methyl-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-3-ylmethyl)propanamide
• Synonyms: N-methyl-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]-N-(3-pyridinylmethyl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.268648
• LogD (pH = 7.4): 2.3399239
• Log P: 2.3409338
• Molar Refractivity: 109.3545 cm^3
• Polarizability: 41.3488 Å^3
• Polar Surface Area: 72.12 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.91
• LOG S: -4.73
• Polar Surface Area: 72.12 Å^2
• Rotatable Bonds: 10