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

• ChemBase ID: 573741
• Molecular Formular: C20H25N5O2
• Molecular Mass: 367.4448
• Monoisotopic Mass: 367.20082507
• SMILES: n1c(onc1COc1ccccc1)CN1C(CCn2cncc2)CCCC1
• Canonical SMILES: C1CCN(C(C1)CCn1cncc1)Cc1onc(n1)COc1ccccc1
• InChI: InChI=1S/C20H25N5O2/c1-2-7-18(8-3-1)26-15-19-22-20(27-23-19)14-25-11-5-4-6-17(25)9-12-24-13-10-21-16-24/h1-3,7-8,10,13,16-17H,4-6,9,11-12,14-15H2
• InChIKey: MOJYXLKNVAJLDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.14833933
• LogD (pH = 7.4): 2.3037837
• Log P: 2.6657462
• Molar Refractivity: 103.7484 cm^3
• Polarizability: 39.409542 Å^3
• Polar Surface Area: 69.21 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 2.33
• LOG S: -2.32
• Polar Surface Area: 69.21 Å^2
• Rotatable Bonds: 8