2-cyclopropyl-5-({3-[3-(1-methyl-1H-imidazol-2-yl)phenyl]-1H-pyrazol-1-yl}methyl)-1,3,4-oxadiazole

• ChemBase ID: 671246
• Molecular Formular: C19H18N6O
• Molecular Mass: 346.38582
• Monoisotopic Mass: 346.15420923
• SMILES: c1(nnc(o1)Cn1nc(cc1)c1cc(c2n(ccn2)C)ccc1)C1CC1
• Canonical SMILES: Cn1ccnc1c1cccc(c1)c1ccn(n1)Cc1nnc(o1)C1CC1
• InChI: InChI=1S/C19H18N6O/c1-24-10-8-20-18(24)15-4-2-3-14(11-15)16-7-9-25(23-16)12-17-21-22-19(26-17)13-5-6-13/h2-4,7-11,13H,5-6,12H2,1H3
• InChIKey: MQODKDSNFLQQPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropyl-5-({3-[3-(1-methyl-1H-imidazol-2-yl)phenyl]-1H-pyrazol-1-yl}methyl)-1,3,4-oxadiazole
• IUPAC Traditional name: 2-cyclopropyl-5-({3-[3-(1-methylimidazol-2-yl)phenyl]pyrazol-1-yl}methyl)-1,3,4-oxadiazole
• Synonyms: 2-cyclopropyl-5-({3-[3-(1-methyl-1H-imidazol-2-yl)phenyl]-1H-pyrazol-1-yl}methyl)-1,3,4-oxadiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.6460979
• LogD (pH = 7.4): 2.2243042
• Log P: 2.246098
• Molar Refractivity: 119.3838 cm^3
• Polarizability: 38.102314 Å^3
• Polar Surface Area: 74.56 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.08
• LOG S: -2.65
• Polar Surface Area: 74.56 Å^2
• Rotatable Bonds: 5