4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-(propan-2-yl)piperidine

• ChemBase ID: 323896
• Molecular Formular: C13H23N3O2
• Molecular Mass: 253.34062
• Monoisotopic Mass: 253.17902699
• SMILES: n1c(onc1CCOC)C1CCN(CC1)C(C)C
• Canonical SMILES: COCCc1noc(n1)C1CCN(CC1)C(C)C
• InChI: InChI=1S/C13H23N3O2/c1-10(2)16-7-4-11(5-8-16)13-14-12(15-18-13)6-9-17-3/h10-11H,4-9H2,1-3H3
• InChIKey: GCMICEHNQLUPMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.3326155
• LogD (pH = 7.4): 0.4327297
• Log P: 1.6593142
• Molar Refractivity: 71.7857 cm^3
• Polarizability: 27.041636 Å^3
• Polar Surface Area: 51.39 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: 1.25
• LOG S: -1.11
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 5