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

• ChemBase ID: 350541
• Molecular Formular: C19H20ClN3O4
• Molecular Mass: 389.8328
• Monoisotopic Mass: 389.11423382
• SMILES: c1(nnc(o1)CCC(=O)NC1C(=O)OCC1)C1(c2ccc(cc2)Cl)CCC1
• Canonical SMILES: O=C(NC1CCOC1=O)CCc1nnc(o1)C1(CCC1)c1ccc(cc1)Cl
• InChI: InChI=1S/C19H20ClN3O4/c20-13-4-2-12(3-5-13)19(9-1-10-19)18-23-22-16(27-18)7-6-15(24)21-14-8-11-26-17(14)25/h2-5,14H,1,6-11H2,(H,21,24)
• InChIKey: QMNILGBOVMAYBN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.60024
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.6849072
• LogD (pH = 7.4): 1.6848832
• Log P: 1.6849074
• Molar Refractivity: 108.868 cm^3
• Polarizability: 37.701366 Å^3
• Polar Surface Area: 94.32 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.37
• LOG S: -4.76
• Polar Surface Area: 94.32 Å^2
• Rotatable Bonds: 6