1-(1,3-oxazole-5-carbonyl)-4-[2-(piperidine-1-carbonyl)phenoxy]piperidine

• ChemBase ID: 557833
• Molecular Formular: C21H25N3O4
• Molecular Mass: 383.4409
• Monoisotopic Mass: 383.1845063
• SMILES: C(=O)(c1c(OC2CCN(C(=O)c3ocnc3)CC2)cccc1)N1CCCCC1
• Canonical SMILES: O=C(c1ccccc1OC1CCN(CC1)C(=O)c1cnco1)N1CCCCC1
• InChI: InChI=1S/C21H25N3O4/c25-20(23-10-4-1-5-11-23)17-6-2-3-7-18(17)28-16-8-12-24(13-9-16)21(26)19-14-22-15-27-19/h2-3,6-7,14-16H,1,4-5,8-13H2
• InChIKey: BCRODSLKWDCJBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1,3-oxazole-5-carbonyl)-4-[2-(piperidine-1-carbonyl)phenoxy]piperidine
• IUPAC Traditional name: 1-(1,3-oxazole-5-carbonyl)-4-[2-(piperidine-1-carbonyl)phenoxy]piperidine
• Synonyms: 1-(1,3-oxazol-5-ylcarbonyl)-4-[2-(piperidin-1-ylcarbonyl)phenoxy]piperidine

CALCULATED PROPERTIES

JChem

• LogD (pH = 5.5): 0.93370026
• LogD (pH = 7.4): 0.9337005
• Log P: 0.9337005
• Molar Refractivity: 104.5147 cm^3
• Polarizability: 39.260387 Å^3
• Polar Surface Area: 75.88 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0

供应商提供(Chembridge)

• Log P: 0.11
• LOG S: -3.4
• Polar Surface Area: 75.88 Å^2
• Rotatable Bonds: 4
• H Acceptors: 5
• H Donor: 0