1-{1-[5-(methoxymethyl)-1,3,4-oxadiazole-2-carbonyl]azetidin-3-yl}piperidine

• ChemBase ID: 843201
• Molecular Formular: C13H20N4O3
• Molecular Mass: 280.3229
• Monoisotopic Mass: 280.15354052
• SMILES: c1(nnc(o1)COC)C(=O)N1CC(C1)N1CCCCC1
• Canonical SMILES: COCc1nnc(o1)C(=O)N1CC(C1)N1CCCCC1
• InChI: InChI=1S/C13H20N4O3/c1-19-9-11-14-15-12(20-11)13(18)17-7-10(8-17)16-5-3-2-4-6-16/h10H,2-9H2,1H3
• InChIKey: BFFYRVAREUQARV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{1-[5-(methoxymethyl)-1,3,4-oxadiazole-2-carbonyl]azetidin-3-yl}piperidine
• IUPAC Traditional name: 1-{1-[5-(methoxymethyl)-1,3,4-oxadiazole-2-carbonyl]azetidin-3-yl}piperidine
• Synonyms: 1-(1-{[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]carbonyl}azetidin-3-yl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -2.2434437
• LogD (pH = 7.4): -0.8312883
• Log P: -0.6635812
• Molar Refractivity: 74.089 cm^3
• Polarizability: 27.555254 Å^3
• Polar Surface Area: 71.7 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: -0.4
• LOG S: -2.21
• Polar Surface Area: 71.7 Å^2
• Rotatable Bonds: 4