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

• ChemBase ID: 357966
• Molecular Formular: C19H27N3O3
• Molecular Mass: 345.43598
• Monoisotopic Mass: 345.20524174
• SMILES: n1nc(oc1CCc1ccccc1)CCC(=O)NCCCOC(C)C
• Canonical SMILES: O=C(CCc1nnc(o1)CCc1ccccc1)NCCCOC(C)C
• InChI: InChI=1S/C19H27N3O3/c1-15(2)24-14-6-13-20-17(23)10-12-19-22-21-18(25-19)11-9-16-7-4-3-5-8-16/h3-5,7-8,15H,6,9-14H2,1-2H3,(H,20,23)
• InChIKey: QGVWZSVZIDDVDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.184379
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.5076869
• LogD (pH = 7.4): 1.5076869
• Log P: 1.5076869
• Molar Refractivity: 97.8764 cm^3
• Polarizability: 37.042675 Å^3
• Polar Surface Area: 77.25 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.7
• LOG S: -4.81
• Polar Surface Area: 77.25 Å^2
• Rotatable Bonds: 10