N-[3-(2-ethyl-1H-imidazol-1-yl)propyl]-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide

• ChemBase ID: 756485
• Molecular Formular: C20H25N5O3
• Molecular Mass: 383.4442
• Monoisotopic Mass: 383.19573969
• SMILES: c1(nc(on1)CCC(=O)NCCCn1c(ncc1)CC)c1c(OC)cccc1
• Canonical SMILES: CCc1nccn1CCCNC(=O)CCc1onc(n1)c1ccccc1OC
• InChI: InChI=1S/C20H25N5O3/c1-3-17-21-12-14-25(17)13-6-11-22-18(26)9-10-19-23-20(24-28-19)15-7-4-5-8-16(15)27-2/h4-5,7-8,12,14H,3,6,9-11,13H2,1-2H3,(H,22,26)
• InChIKey: BNKIPJHZLSDJJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(2-ethyl-1H-imidazol-1-yl)propyl]-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
• IUPAC Traditional name: N-[3-(2-ethylimidazol-1-yl)propyl]-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
• Synonyms: N-[3-(2-ethyl-1H-imidazol-1-yl)propyl]-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.157186
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.1251901
• LogD (pH = 7.4): 2.0011656
• Log P: 2.2042222
• Molar Refractivity: 116.4748 cm^3
• Polarizability: 40.522793 Å^3
• Polar Surface Area: 95.07 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.91
• LOG S: -2.77
• Polar Surface Area: 95.07 Å^2
• Rotatable Bonds: 10