4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1-{[2-(propan-2-yl)-1,3-oxazol-4-yl]methyl}piperidine

• ChemBase ID: 602371
• Molecular Formular: C17H26N4O2
• Molecular Mass: 318.41394
• Monoisotopic Mass: 318.20557609
• SMILES: n1c(noc1C1CCN(Cc2nc(oc2)C(C)C)CC1)C(C)C
• Canonical SMILES: CC(c1occ(n1)CN1CCC(CC1)c1onc(n1)C(C)C)C
• InChI: InChI=1S/C17H26N4O2/c1-11(2)15-19-17(23-20-15)13-5-7-21(8-6-13)9-14-10-22-16(18-14)12(3)4/h10-13H,5-9H2,1-4H3
• InChIKey: RZMWODGOAYBOFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1-{[2-(propan-2-yl)-1,3-oxazol-4-yl]methyl}piperidine
• IUPAC Traditional name: 4-(3-isopropyl-1,2,4-oxadiazol-5-yl)-1-[(2-isopropyl-1,3-oxazol-4-yl)methyl]piperidine
• Synonyms: 4-(3-isopropyl-1,2,4-oxadiazol-5-yl)-1-[(2-isopropyl-1,3-oxazol-4-yl)methyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.2379324
• LogD (pH = 7.4): 3.333368
• Log P: 3.4021833
• Molar Refractivity: 89.1088 cm^3
• Polarizability: 33.688923 Å^3
• Polar Surface Area: 68.19 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: 1.51
• LOG S: -1.8
• Polar Surface Area: 68.19 Å^2
• Rotatable Bonds: 5