N3-{[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}piperidine-1,3-dicarboxamide

• ChemBase ID: 507127
• Molecular Formular: C14H17N5O4
• Molecular Mass: 319.31588
• Monoisotopic Mass: 319.12805405
• SMILES: n1c(onc1CNC(=O)C1CN(C(=O)N)CCC1)c1occc1
• Canonical SMILES: O=C(C1CCCN(C1)C(=O)N)NCc1noc(n1)c1ccco1
• InChI: InChI=1S/C14H17N5O4/c15-14(21)19-5-1-3-9(8-19)12(20)16-7-11-17-13(23-18-11)10-4-2-6-22-10/h2,4,6,9H,1,3,5,7-8H2,(H2,15,21)(H,16,20)
• InChIKey: LKRXPNWDMFULBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N3-{[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}piperidine-1,3-dicarboxamide
• IUPAC Traditional name: N3-{[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}piperidine-1,3-dicarboxamide
• Synonyms: N~3~-{[5-(2-furyl)-1,2,4-oxadiazol-3-yl]methyl}-1,3-piperidinedicarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.590239
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.0068612476
• LogD (pH = 7.4): -0.0068636797
• Log P: -0.006861119
• Molar Refractivity: 90.1147 cm^3
• Polarizability: 30.30453 Å^3
• Polar Surface Area: 127.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: -1.57
• LOG S: -1.5
• Polar Surface Area: 127.49 Å^2
• Rotatable Bonds: 4