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

• ChemBase ID: 352629
• Molecular Formular: C20H29N3O2
• Molecular Mass: 343.46316
• Monoisotopic Mass: 343.22597718
• SMILES: n1nc(oc1CCC(=O)NCC(CC)C)CCCCc1ccccc1
• Canonical SMILES: CCC(CNC(=O)CCc1nnc(o1)CCCCc1ccccc1)C
• InChI: InChI=1S/C20H29N3O2/c1-3-16(2)15-21-18(24)13-14-20-23-22-19(25-20)12-8-7-11-17-9-5-4-6-10-17/h4-6,9-10,16H,3,7-8,11-15H2,1-2H3,(H,21,24)
• InChIKey: HWKGDOFUZQSZGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.22806
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.2993288
• LogD (pH = 7.4): 3.2993288
• Log P: 3.2993288
• Molar Refractivity: 100.3473 cm^3
• Polarizability: 38.18026 Å^3
• Polar Surface Area: 68.02 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.35
• LOG S: -5.38
• Polar Surface Area: 68.02 Å^2
• Rotatable Bonds: 10