N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2,4-dichlorophenoxy)acetamide

• ChemBase ID: 779232
• Molecular Formular: C15H15Cl2N3O3
• Molecular Mass: 356.2039
• Monoisotopic Mass: 355.04904672
• SMILES: n1c(onc1C1CC1)C(NC(=O)COc1c(cc(cc1)Cl)Cl)C
• Canonical SMILES: O=C(NC(c1onc(n1)C1CC1)C)COc1ccc(cc1Cl)Cl
• InChI: InChI=1S/C15H15Cl2N3O3/c1-8(15-19-14(20-23-15)9-2-3-9)18-13(21)7-22-12-5-4-10(16)6-11(12)17/h4-6,8-9H,2-3,7H2,1H3,(H,18,21)
• InChIKey: NVIOALKIBGRHMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2,4-dichlorophenoxy)acetamide
• IUPAC Traditional name: N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2,4-dichlorophenoxy)acetamide
• Synonyms: N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2,4-dichlorophenoxy)acetamide

CALCULATED PROPERTIES

JChem

• Log P: 3.3377018
• Molar Refractivity: 86.0075 cm^3
• Polarizability: 32.922295 Å^3
• Polar Surface Area: 77.25 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 10.400411
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.3376968
• LogD (pH = 7.4): 3.3373055

供应商提供(Chembridge)

• Log P: 2.47
• LOG S: -3.91
• Polar Surface Area: 77.25 Å^2
• Rotatable Bonds: 6
• H Acceptors: 5
• H Donor: 1