N-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide

• ChemBase ID: 634064
• Molecular Formular: C19H23N5O5
• Molecular Mass: 401.41642
• Monoisotopic Mass: 401.16991886
• SMILES: n1c(noc1CCCC(=O)NCc1nc(no1)CCOC)c1cc(OC)ccc1
• Canonical SMILES: COCCc1noc(n1)CNC(=O)CCCc1onc(n1)c1cccc(c1)OC
• InChI: InChI=1S/C19H23N5O5/c1-26-10-9-15-21-18(29-23-15)12-20-16(25)7-4-8-17-22-19(24-28-17)13-5-3-6-14(11-13)27-2/h3,5-6,11H,4,7-10,12H2,1-2H3,(H,20,25)
• InChIKey: WHRBMPDLHWSPDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
• IUPAC Traditional name: N-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
• Synonyms: N-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.240724
• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): 2.010865
• LogD (pH = 7.4): 2.0108595
• Log P: 2.0108652
• Molar Refractivity: 115.5352 cm^3
• Polarizability: 39.59196 Å^3
• Polar Surface Area: 125.4 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 9
• H Donor: 1
• Log P: -0.42
• LOG S: -3.08
• Polar Surface Area: 125.4 Å^2
• Rotatable Bonds: 11