N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-2-(2-phenyl-1H-imidazol-1-yl)acetamide

• ChemBase ID: 704879
• Molecular Formular: C19H21N5O2
• Molecular Mass: 351.40234
• Monoisotopic Mass: 351.16952494
• SMILES: n1c(onc1CCN(C(=O)Cn1c(ncc1)c1ccccc1)C)C1CC1
• Canonical SMILES: O=C(N(CCc1noc(n1)C1CC1)C)Cn1ccnc1c1ccccc1
• InChI: InChI=1S/C19H21N5O2/c1-23(11-9-16-21-19(26-22-16)15-7-8-15)17(25)13-24-12-10-20-18(24)14-5-3-2-4-6-14/h2-6,10,12,15H,7-9,11,13H2,1H3
• InChIKey: AHPGDKJKFJHHKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-2-(2-phenyl-1H-imidazol-1-yl)acetamide
• IUPAC Traditional name: N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-2-(2-phenylimidazol-1-yl)acetamide
• Synonyms: N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-2-(2-phenyl-1H-imidazol-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.8523465
• LogD (pH = 7.4): 2.4192197
• Log P: 2.4382846
• Molar Refractivity: 107.99 cm^3
• Polarizability: 37.24762 Å^3
• Polar Surface Area: 77.05 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.52
• LOG S: -2.21
• Polar Surface Area: 77.05 Å^2
• Rotatable Bonds: 7