3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[3-(propan-2-yloxy)propyl]propanamide

• ChemBase ID: 678420
• Molecular Formular: C17H23N3O3
• Molecular Mass: 317.38282
• Monoisotopic Mass: 317.17394161
• SMILES: n1c(oc(n1)CCC(=O)NCCCOC(C)C)c1ccccc1
• Canonical SMILES: CC(OCCCNC(=O)CCc1nnc(o1)c1ccccc1)C
• InChI: InChI=1S/C17H23N3O3/c1-13(2)22-12-6-11-18-15(21)9-10-16-19-20-17(23-16)14-7-4-3-5-8-14/h3-5,7-8,13H,6,9-12H2,1-2H3,(H,18,21)
• InChIKey: ZBWNXDQPVLAUEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[3-(propan-2-yloxy)propyl]propanamide
• IUPAC Traditional name: N-(3-isopropoxypropyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
• Synonyms: N-(3-isopropoxypropyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.480515
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.1304839
• LogD (pH = 7.4): 1.130484
• Log P: 1.130484
• Molar Refractivity: 99.2144 cm^3
• Polarizability: 34.194584 Å^3
• Polar Surface Area: 77.25 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: 0.58
• LOG S: -4.28
• Polar Surface Area: 77.25 Å^2
• Rotatable Bonds: 8