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

• ChemBase ID: 339022
• Molecular Formular: C19H25N3O4
• Molecular Mass: 359.4195
• Monoisotopic Mass: 359.1845063
• SMILES: n1nc(oc1CCc1ccc(cc1)OC)CCC(=O)NCC1OCCC1
• Canonical SMILES: COc1ccc(cc1)CCc1nnc(o1)CCC(=O)NCC1CCCO1
• InChI: InChI=1S/C19H25N3O4/c1-24-15-7-4-14(5-8-15)6-10-18-21-22-19(26-18)11-9-17(23)20-13-16-3-2-12-25-16/h4-5,7-8,16H,2-3,6,9-13H2,1H3,(H,20,23)
• InChIKey: VTYXTMPBNPECLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl}-N-(oxolan-2-ylmethyl)propanamide
• IUPAC Traditional name: 3-{5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl}-N-(oxolan-2-ylmethyl)propanamide
• Synonyms: 3-{5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl}-N-(tetrahydro-2-furanylmethyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.892608
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.98223734
• LogD (pH = 7.4): 0.98223746
• Log P: 0.98223746
• Molar Refractivity: 97.518 cm^3
• Polarizability: 37.022167 Å^3
• Polar Surface Area: 86.48 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.07
• LOG S: -3.89
• Polar Surface Area: 86.48 Å^2
• Rotatable Bonds: 8