3-(1-benzyl-1H-imidazol-2-yl)-1-{[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}piperidine

• ChemBase ID: 831890
• Molecular Formular: C20H25N5O2
• Molecular Mass: 367.4448
• Monoisotopic Mass: 367.20082507
• SMILES: c1(n(ccn1)Cc1ccccc1)C1CN(Cc2nc(on2)COC)CCC1
• Canonical SMILES: COCc1onc(n1)CN1CCCC(C1)c1nccn1Cc1ccccc1
• InChI: InChI=1S/C20H25N5O2/c1-26-15-19-22-18(23-27-19)14-24-10-5-8-17(13-24)20-21-9-11-25(20)12-16-6-3-2-4-7-16/h2-4,6-7,9,11,17H,5,8,10,12-15H2,1H3
• InChIKey: OITAIFPHLHSNRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1-benzyl-1H-imidazol-2-yl)-1-{[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}piperidine
• IUPAC Traditional name: 3-(1-benzylimidazol-2-yl)-1-{[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}piperidine
• Synonyms: 3-(1-benzyl-1H-imidazol-2-yl)-1-{[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.92601067
• LogD (pH = 7.4): 2.4107857
• Log P: 2.551923
• Molar Refractivity: 104.1686 cm^3
• Polarizability: 39.34643 Å^3
• Polar Surface Area: 69.21 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.99
• LOG S: -2.57
• Polar Surface Area: 69.21 Å^2
• Rotatable Bonds: 7