7-methyl-2-(5-propyl-1,3,4-oxadiazol-2-yl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 706018
• Molecular Formular: C14H22N4O2
• Molecular Mass: 278.35008
• Monoisotopic Mass: 278.17427596
• SMILES: c1(oc(nn1)CCC)N1CC2(C(=O)N(CCC2)C)CC1
• Canonical SMILES: CCCc1nnc(o1)N1CCC2(C1)CCCN(C2=O)C
• InChI: InChI=1S/C14H22N4O2/c1-3-5-11-15-16-13(20-11)18-9-7-14(10-18)6-4-8-17(2)12(14)19/h3-10H2,1-2H3
• InChIKey: ZDSLLFCLHRALGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methyl-2-(5-propyl-1,3,4-oxadiazol-2-yl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-methyl-2-(5-propyl-1,3,4-oxadiazol-2-yl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-methyl-2-(5-propyl-1,3,4-oxadiazol-2-yl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.96705705
• LogD (pH = 7.4): 0.9670577
• Log P: 0.9670577
• Molar Refractivity: 77.167 cm^3
• Polarizability: 28.399797 Å^3
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.45
• LOG S: -1.61
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 3