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

• ChemBase ID: 571902
• Molecular Formular: C20H29N3O5
• Molecular Mass: 391.46136
• Monoisotopic Mass: 391.21072104
• SMILES: n1nc(oc1Cc1c(ccc(c1)OC)OC)CCC(=O)N(C(C)C)CCOC
• Canonical SMILES: COCCN(C(=O)CCc1nnc(o1)Cc1cc(OC)ccc1OC)C(C)C
• InChI: InChI=1S/C20H29N3O5/c1-14(2)23(10-11-25-3)20(24)9-8-18-21-22-19(28-18)13-15-12-16(26-4)6-7-17(15)27-5/h6-7,12,14H,8-11,13H2,1-5H3
• InChIKey: YKAFOWBLGCKGRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 0.91149193
• LogD (pH = 7.4): 0.91149205
• Log P: 0.91149205
• Molar Refractivity: 106.2331 cm^3
• Polarizability: 40.351868 Å^3
• Polar Surface Area: 86.92 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 0.47
• LOG S: -2.87
• Polar Surface Area: 86.92 Å^2
• Rotatable Bonds: 7