3-{5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl}-N-[2-(propan-2-yloxy)ethyl]propanamide

• ChemBase ID: 587164
• Molecular Formular: C19H27N3O4
• Molecular Mass: 361.43538
• Monoisotopic Mass: 361.20015636
• SMILES: n1nc(oc1CCc1ccc(cc1)OC)CCC(=O)NCCOC(C)C
• Canonical SMILES: COc1ccc(cc1)CCc1nnc(o1)CCC(=O)NCCOC(C)C
• InChI: InChI=1S/C19H27N3O4/c1-14(2)25-13-12-20-17(23)9-11-19-22-21-18(26-19)10-6-15-4-7-16(24-3)8-5-15/h4-5,7-8,14H,6,9-13H2,1-3H3,(H,20,23)
• InChIKey: FNYYAWYXUDNQGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl}-N-[2-(propan-2-yloxy)ethyl]propanamide
• IUPAC Traditional name: N-(2-isopropoxyethyl)-3-{5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl}propanamide
• Synonyms: N-(2-isopropoxyethyl)-3-{5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl}propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.010628
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.2900559
• LogD (pH = 7.4): 1.2900559
• Log P: 1.2900559
• Molar Refractivity: 99.4742 cm^3
• Polarizability: 37.740314 Å^3
• Polar Surface Area: 86.48 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.36
• LOG S: -4.28
• Polar Surface Area: 86.48 Å^2
• Rotatable Bonds: 9