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

• ChemBase ID: 859501
• Molecular Formular: C21H24N4O2
• Molecular Mass: 364.44086
• Monoisotopic Mass: 364.18992603
• SMILES: n1nc(oc1CCc1ccccc1)CCC(=O)NCCc1nc(ccc1)C
• Canonical SMILES: O=C(CCc1nnc(o1)CCc1ccccc1)NCCc1cccc(n1)C
• InChI: InChI=1S/C21H24N4O2/c1-16-6-5-9-18(23-16)14-15-22-19(26)11-13-21-25-24-20(27-21)12-10-17-7-3-2-4-8-17/h2-9H,10-15H2,1H3,(H,22,26)
• InChIKey: OZZUTCKKAOXITD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.956772
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.4890523
• LogD (pH = 7.4): 1.674986
• Log P: 1.6779752
• Molar Refractivity: 104.0245 cm^3
• Polarizability: 39.433968 Å^3
• Polar Surface Area: 80.91 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.41
• LOG S: -5.61
• Polar Surface Area: 80.91 Å^2
• Rotatable Bonds: 9