5-(1-methyl-1H-imidazol-2-yl)-3-(1-phenylcyclopropyl)-1,2,4-oxadiazole

• ChemBase ID: 340252
• Molecular Formular: C15H14N4O
• Molecular Mass: 266.29786
• Monoisotopic Mass: 266.11676109
• SMILES: c1(nc(C2(CC2)c2ccccc2)no1)c1n(ccn1)C
• Canonical SMILES: Cn1ccnc1c1onc(n1)C1(CC1)c1ccccc1
• InChI: InChI=1S/C15H14N4O/c1-19-10-9-16-12(19)13-17-14(18-20-13)15(7-8-15)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3
• InChIKey: MCKRICGVADHIPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(1-methyl-1H-imidazol-2-yl)-3-(1-phenylcyclopropyl)-1,2,4-oxadiazole
• IUPAC Traditional name: 5-(1-methylimidazol-2-yl)-3-(1-phenylcyclopropyl)-1,2,4-oxadiazole
• Synonyms: 5-(1-methyl-1H-imidazol-2-yl)-3-(1-phenylcyclopropyl)-1,2,4-oxadiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.2864258
• LogD (pH = 7.4): 3.2931998
• Log P: 3.293287
• Molar Refractivity: 106.7066 cm^3
• Polarizability: 27.941296 Å^3
• Polar Surface Area: 56.74 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.98
• LOG S: -2.83
• Polar Surface Area: 56.74 Å^2
• Rotatable Bonds: 3