1-benzoyl-2-[3-(2,6-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine

• ChemBase ID: 740519
• Molecular Formular: C22H23N3O4
• Molecular Mass: 393.43572
• Monoisotopic Mass: 393.16885623
• SMILES: c1(nc(on1)C1N(C(=O)c2ccccc2)CCCC1)c1c(OC)cccc1OC
• Canonical SMILES: COc1cccc(c1c1noc(n1)C1CCCCN1C(=O)c1ccccc1)OC
• InChI: InChI=1S/C22H23N3O4/c1-27-17-12-8-13-18(28-2)19(17)20-23-21(29-24-20)16-11-6-7-14-25(16)22(26)15-9-4-3-5-10-15/h3-5,8-10,12-13,16H,6-7,11,14H2,1-2H3
• InChIKey: BUGHZMNCBPSHLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzoyl-2-[3-(2,6-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine
• IUPAC Traditional name: 1-benzoyl-2-[3-(2,6-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine
• Synonyms: 1-benzoyl-2-[3-(2,6-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.8679051
• LogD (pH = 7.4): 3.8679054
• Log P: 3.8679054
• Molar Refractivity: 119.7103 cm^3
• Polarizability: 41.672527 Å^3
• Polar Surface Area: 77.69 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.41
• LOG S: -4.12
• Polar Surface Area: 77.69 Å^2
• Rotatable Bonds: 5