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

• ChemBase ID: 715544
• Molecular Formular: C20H25N5O2
• Molecular Mass: 367.4448
• Monoisotopic Mass: 367.20082507
• SMILES: n1(c(ncc1)C(C)C)C(C(=O)NCCc1nc(no1)Cc1ccccc1)C
• Canonical SMILES: O=C(C(n1ccnc1C(C)C)C)NCCc1onc(n1)Cc1ccccc1
• InChI: InChI=1S/C20H25N5O2/c1-14(2)19-21-11-12-25(19)15(3)20(26)22-10-9-18-23-17(24-27-18)13-16-7-5-4-6-8-16/h4-8,11-12,14-15H,9-10,13H2,1-3H3,(H,22,26)
• InChIKey: VAFGNWFALXLEFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-[2-(propan-2-yl)-1H-imidazol-1-yl]propanamide
• IUPAC Traditional name: N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2-isopropylimidazol-1-yl)propanamide
• Synonyms: N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2-isopropyl-1H-imidazol-1-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.817704
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.134992
• LogD (pH = 7.4): 3.0246766
• Log P: 3.1604054
• Molar Refractivity: 103.4504 cm^3
• Polarizability: 39.070267 Å^3
• Polar Surface Area: 85.84 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.61
• LOG S: -3.25
• Polar Surface Area: 85.84 Å^2
• Rotatable Bonds: 8