1-[(1-methyl-1H-imidazol-5-yl)methyl]-4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]piperidine

• ChemBase ID: 567427
• Molecular Formular: C15H23N5O
• Molecular Mass: 289.37602
• Monoisotopic Mass: 289.19026038
• SMILES: n1c(noc1C1CCN(Cc2n(cnc2)C)CC1)C(C)C
• Canonical SMILES: CC(c1noc(n1)C1CCN(CC1)Cc1cncn1C)C
• InChI: InChI=1S/C15H23N5O/c1-11(2)14-17-15(21-18-14)12-4-6-20(7-5-12)9-13-8-16-10-19(13)3/h8,10-12H,4-7,9H2,1-3H3
• InChIKey: HJQRSQARDNZJBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(1-methyl-1H-imidazol-5-yl)methyl]-4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]piperidine
• IUPAC Traditional name: 4-(3-isopropyl-1,2,4-oxadiazol-5-yl)-1-[(3-methylimidazol-4-yl)methyl]piperidine
• Synonyms: 4-(3-isopropyl-1,2,4-oxadiazol-5-yl)-1-[(1-methyl-1H-imidazol-5-yl)methyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.06571587
• LogD (pH = 7.4): 1.4535232
• Log P: 1.7747223
• Molar Refractivity: 83.0085 cm^3
• Polarizability: 30.829685 Å^3
• Polar Surface Area: 59.98 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.25
• LOG S: -1.83
• Polar Surface Area: 59.98 Å^2
• Rotatable Bonds: 4