N-ethyl-2-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]acetamide

• ChemBase ID: 694378
• Molecular Formular: C16H21N5O2
• Molecular Mass: 315.37024
• Monoisotopic Mass: 315.16952494
• SMILES: n1c(noc1c1ccccc1)N1CCN(CC(=O)NCC)CC1
• Canonical SMILES: CCNC(=O)CN1CCN(CC1)c1noc(n1)c1ccccc1
• InChI: InChI=1S/C16H21N5O2/c1-2-17-14(22)12-20-8-10-21(11-9-20)16-18-15(23-19-16)13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H,17,22)
• InChIKey: SZLKFZUPZSIVDZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-2-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]acetamide
• IUPAC Traditional name: N-ethyl-2-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]acetamide
• Synonyms: N-ethyl-2-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)-1-piperazinyl]acetamide

CALCULATED PROPERTIES

JChem

• H Donor: 1
• LogD (pH = 5.5): 1.0463239
• LogD (pH = 7.4): 1.5492445
• Log P: 1.561516
• Molar Refractivity: 99.7525 cm^3
• Polarizability: 33.594772 Å^3
• Polar Surface Area: 74.5 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 15.197301
• H Acceptors: 5

供应商提供(Chembridge)

• H Donor: 1
• Log P: 1.65
• LOG S: -2.91
• Polar Surface Area: 74.5 Å^2
• Rotatable Bonds: 5
• H Acceptors: 5