N,N-dimethyl-3-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide

• ChemBase ID: 423765
• Molecular Formular: C15H19N5O2
• Molecular Mass: 301.34366
• Monoisotopic Mass: 301.15387487
• SMILES: n1c(onc1c1ccncc1)C1CN(C(=O)N(C)C)CCC1
• Canonical SMILES: O=C(N1CCCC(C1)c1onc(n1)c1ccncc1)N(C)C
• InChI: InChI=1S/C15H19N5O2/c1-19(2)15(21)20-9-3-4-12(10-20)14-17-13(18-22-14)11-5-7-16-8-6-11/h5-8,12H,3-4,9-10H2,1-2H3
• InChIKey: KYHJONORGCVSQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-3-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
• IUPAC Traditional name: N,N-dimethyl-3-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
• Synonyms: N,N-dimethyl-3-[3-(4-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.2065414
• LogD (pH = 7.4): 1.207089
• Log P: 1.2070959
• Molar Refractivity: 92.6826 cm^3
• Polarizability: 31.193258 Å^3
• Polar Surface Area: 75.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.53
• LOG S: -2.7
• Polar Surface Area: 75.36 Å^2
• Rotatable Bonds: 2