1-ethyl-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one

• ChemBase ID: 853873
• Molecular Formular: C12H19N3O3
• Molecular Mass: 253.29756
• Monoisotopic Mass: 253.14264148
• SMILES: n1c(C2CN(C(=O)CC2)CC)onc1CCOC
• Canonical SMILES: COCCc1noc(n1)C1CCC(=O)N(C1)CC
• InChI: InChI=1S/C12H19N3O3/c1-3-15-8-9(4-5-11(15)16)12-13-10(14-18-12)6-7-17-2/h9H,3-8H2,1-2H3
• InChIKey: QGTVMTATAWVESG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
• IUPAC Traditional name: 1-ethyl-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
• Synonyms: 1-ethyl-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-piperidinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.5138129
• LogD (pH = 7.4): 0.513813
• Log P: 0.513813
• Molar Refractivity: 66.8384 cm^3
• Polarizability: 25.029509 Å^3
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.08
• LOG S: -2.29
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 5