N-[1-(6-methylpyridin-2-yl)propan-2-yl]-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide

• ChemBase ID: 435284
• Molecular Formular: C24H30N4O2
• Molecular Mass: 406.5206
• Monoisotopic Mass: 406.23687622
• SMILES: n1nc(oc1CCC(=O)NC(Cc1nc(ccc1)C)C)CCCCc1ccccc1
• Canonical SMILES: O=C(NC(Cc1cccc(n1)C)C)CCc1nnc(o1)CCCCc1ccccc1
• InChI: InChI=1S/C24H30N4O2/c1-18-9-8-13-21(25-18)17-19(2)26-22(29)15-16-24-28-27-23(30-24)14-7-6-12-20-10-4-3-5-11-20/h3-5,8-11,13,19H,6-7,12,14-17H2,1-2H3,(H,26,29)
• InChIKey: XFKIFIGVZBVGGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(6-methylpyridin-2-yl)propan-2-yl]-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide
• IUPAC Traditional name: N-[1-(6-methylpyridin-2-yl)propan-2-yl]-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide
• Synonyms: N-[1-methyl-2-(6-methyl-2-pyridinyl)ethyl]-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.944828
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.7973387
• LogD (pH = 7.4): 2.9807487
• Log P: 2.9836876
• Molar Refractivity: 117.6453 cm^3
• Polarizability: 44.957123 Å^3
• Polar Surface Area: 80.91 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.77
• LOG S: -6.38
• Polar Surface Area: 80.91 Å^2
• Rotatable Bonds: 11