3-{5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl}-N-(3-ethoxypropyl)propanamide

• ChemBase ID: 484736
• Molecular Formular: C19H27N3O5
• Molecular Mass: 377.43478
• Monoisotopic Mass: 377.19507098
• SMILES: n1nc(oc1Cc1c(ccc(c1)OC)OC)CCC(=O)NCCCOCC
• Canonical SMILES: CCOCCCNC(=O)CCc1nnc(o1)Cc1cc(OC)ccc1OC
• InChI: InChI=1S/C19H27N3O5/c1-4-26-11-5-10-20-17(23)8-9-18-21-22-19(27-18)13-14-12-15(24-2)6-7-16(14)25-3/h6-7,12H,4-5,8-11,13H2,1-3H3,(H,20,23)
• InChIKey: OMDGIRHGFFHBMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl}-N-(3-ethoxypropyl)propanamide
• IUPAC Traditional name: 3-{5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl}-N-(3-ethoxypropyl)propanamide
• Synonyms: 3-[5-(2,5-dimethoxybenzyl)-1,3,4-oxadiazol-2-yl]-N-(3-ethoxypropyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.773108
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.3312006
• LogD (pH = 7.4): 0.33120066
• Log P: 0.3312007
• Molar Refractivity: 101.783 cm^3
• Polarizability: 38.5196 Å^3
• Polar Surface Area: 95.71 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 0.02
• LOG S: -3.87
• Polar Surface Area: 95.71 Å^2
• Rotatable Bonds: 8