N-(1-methoxybutan-2-yl)-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide

• ChemBase ID: 338184
• Molecular Formular: C20H29N3O3
• Molecular Mass: 359.46256
• Monoisotopic Mass: 359.2208918
• SMILES: n1nc(oc1CCC(=O)NC(COC)CC)CCCCc1ccccc1
• Canonical SMILES: COCC(NC(=O)CCc1nnc(o1)CCCCc1ccccc1)CC
• InChI: InChI=1S/C20H29N3O3/c1-3-17(15-25-2)21-18(24)13-14-20-23-22-19(26-20)12-8-7-11-16-9-5-4-6-10-16/h4-6,9-10,17H,3,7-8,11-15H2,1-2H3,(H,21,24)
• InChIKey: UXJWBYDAVGGZLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-methoxybutan-2-yl)-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide
• IUPAC Traditional name: N-(1-methoxybutan-2-yl)-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide
• Synonyms: N-[1-(methoxymethyl)propyl]-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.936738
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.5025787
• LogD (pH = 7.4): 2.502579
• Log P: 2.502579
• Molar Refractivity: 101.9884 cm^3
• Polarizability: 38.881554 Å^3
• Polar Surface Area: 77.25 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.5
• LOG S: -4.76
• Polar Surface Area: 77.25 Å^2
• Rotatable Bonds: 10