1-[5-(methoxymethyl)-1,3,4-oxadiazole-2-carbonyl]azonane

• ChemBase ID: 765354
• Molecular Formular: C13H21N3O3
• Molecular Mass: 267.32414
• Monoisotopic Mass: 267.15829155
• SMILES: c1(nnc(o1)COC)C(=O)N1CCCCCCCC1
• Canonical SMILES: COCc1nnc(o1)C(=O)N1CCCCCCCC1
• InChI: InChI=1S/C13H21N3O3/c1-18-10-11-14-15-12(19-11)13(17)16-8-6-4-2-3-5-7-9-16/h2-10H2,1H3
• InChIKey: SCEJFCODKBUNSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.7632382
• LogD (pH = 7.4): 0.7632382
• Log P: 0.7632382
• Molar Refractivity: 72.1717 cm^3
• Polarizability: 26.736364 Å^3
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.47
• LOG S: -2.41
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 3