ethyl 1-({3-[4-(methoxycarbonyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)piperidine-3-carboxylate

• ChemBase ID: 501425
• Molecular Formular: C19H23N3O5
• Molecular Mass: 373.40302
• Monoisotopic Mass: 373.16377085
• SMILES: n1c(noc1CN1CC(C(=O)OCC)CCC1)c1ccc(C(=O)OC)cc1
• Canonical SMILES: CCOC(=O)C1CCCN(C1)Cc1onc(n1)c1ccc(cc1)C(=O)OC
• InChI: InChI=1S/C19H23N3O5/c1-3-26-19(24)15-5-4-10-22(11-15)12-16-20-17(21-27-16)13-6-8-14(9-7-13)18(23)25-2/h6-9,15H,3-5,10-12H2,1-2H3
• InChIKey: TVHREBFKMLRXSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 1-({3-[4-(methoxycarbonyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)piperidine-3-carboxylate
• IUPAC Traditional name: ethyl 1-({3-[4-(methoxycarbonyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)piperidine-3-carboxylate
• Synonyms: ethyl 1-({3-[4-(methoxycarbonyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-3-piperidinecarboxylate

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.3830513
• LogD (pH = 7.4): 2.7818346
• Log P: 2.942421
• Molar Refractivity: 109.7258 cm^3
• Polarizability: 38.31324 Å^3
• Polar Surface Area: 94.76 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 8
• H Donor: 0
• Log P: 2.77
• LOG S: -3.18
• Polar Surface Area: 94.76 Å^2
• Rotatable Bonds: 5