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

• ChemBase ID: 568952
• Molecular Formular: C18H27N5O2
• Molecular Mass: 345.43928
• Monoisotopic Mass: 345.21647513
• SMILES: c1(n(ccn1)CC1CCC1)C1CN(Cc2nc(no2)COC)CCC1
• Canonical SMILES: COCc1noc(n1)CN1CCCC(C1)c1nccn1CC1CCC1
• InChI: InChI=1S/C18H27N5O2/c1-24-13-16-20-17(25-21-16)12-22-8-3-6-15(11-22)18-19-7-9-23(18)10-14-4-2-5-14/h7,9,14-15H,2-6,8,10-13H2,1H3
• InChIKey: HPYFYOHQNZVOIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.2654234
• LogD (pH = 7.4): 1.7320102
• Log P: 1.9997808
• Molar Refractivity: 96.099 cm^3
• Polarizability: 36.408646 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: 1.68
• LOG S: -2.15
• Polar Surface Area: 69.21 Å^2
• Rotatable Bonds: 7