4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)piperidine

• ChemBase ID: 477426
• Molecular Formular: C16H21N5O2
• Molecular Mass: 315.37024
• Monoisotopic Mass: 315.16952494
• SMILES: c1(oc(nn1)C1CC1)N1CCC(Cc2nc(on2)C2CC2)CC1
• Canonical SMILES: C1CN(CCC1Cc1noc(n1)C1CC1)c1nnc(o1)C1CC1
• InChI: InChI=1S/C16H21N5O2/c1-2-11(1)14-17-13(20-23-14)9-10-5-7-21(8-6-10)16-19-18-15(22-16)12-3-4-12/h10-12H,1-9H2
• InChIKey: IEZWWFRCWNETPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.3702736
• LogD (pH = 7.4): 2.370274
• Log P: 2.370274
• Molar Refractivity: 86.1771 cm^3
• Polarizability: 31.051453 Å^3
• Polar Surface Area: 81.08 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: -0.41
• LOG S: -4.6
• Polar Surface Area: 81.08 Å^2
• Rotatable Bonds: 5