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

• ChemBase ID: 561351
• Molecular Formular: C19H27N3O4
• Molecular Mass: 361.43538
• Monoisotopic Mass: 361.20015636
• SMILES: n1nc(oc1CCc1ccc(cc1)OC)CCC(=O)NC(COC)CC
• Canonical SMILES: COCC(NC(=O)CCc1nnc(o1)CCc1ccc(cc1)OC)CC
• InChI: InChI=1S/C19H27N3O4/c1-4-15(13-24-2)20-17(23)10-12-19-22-21-18(26-19)11-7-14-5-8-16(25-3)9-6-14/h5-6,8-9,15H,4,7,10-13H2,1-3H3,(H,20,23)
• InChIKey: RHWCNAVOYQUJNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.8897
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.4557703
• LogD (pH = 7.4): 1.4557704
• Log P: 1.4557704
• Molar Refractivity: 99.2496 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: -3.8
• Polar Surface Area: 86.48 Å^2
• Rotatable Bonds: 8