3-{5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl}-N-(2-hydroxybutyl)propanamide

• ChemBase ID: 688158
• Molecular Formular: C19H24ClN3O3
• Molecular Mass: 377.86516
• Monoisotopic Mass: 377.15061932
• SMILES: c1(nnc(o1)CCC(=O)NCC(O)CC)C1(c2ccc(cc2)Cl)CCC1
• Canonical SMILES: CCC(CNC(=O)CCc1nnc(o1)C1(CCC1)c1ccc(cc1)Cl)O
• InChI: InChI=1S/C19H24ClN3O3/c1-2-15(24)12-21-16(25)8-9-17-22-23-18(26-17)19(10-3-11-19)13-4-6-14(20)7-5-13/h4-7,15,24H,2-3,8-12H2,1H3,(H,21,25)
• InChIKey: NIUJBNWULOPLNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl}-N-(2-hydroxybutyl)propanamide
• IUPAC Traditional name: 3-{5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl}-N-(2-hydroxybutyl)propanamide
• Synonyms: 3-{5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl}-N-(2-hydroxybutyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.615186
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.2096343
• LogD (pH = 7.4): 2.2096343
• Log P: 2.2096345
• Molar Refractivity: 110.6077 cm^3
• Polarizability: 38.22072 Å^3
• Polar Surface Area: 88.25 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.15
• LOG S: -5.32
• Polar Surface Area: 88.25 Å^2
• Rotatable Bonds: 7