N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide

• ChemBase ID: 349684
• Molecular Formular: C20H27N5O2
• Molecular Mass: 369.46068
• Monoisotopic Mass: 369.21647513
• SMILES: n1c(noc1Cc1ccccc1)CNC(=O)C1N(CC2(C1)CCNCC2)C
• Canonical SMILES: CN1CC2(CC1C(=O)NCc1noc(n1)Cc1ccccc1)CCNCC2
• InChI: InChI=1S/C20H27N5O2/c1-25-14-20(7-9-21-10-8-20)12-16(25)19(26)22-13-17-23-18(27-24-17)11-15-5-3-2-4-6-15/h2-6,16,21H,7-14H2,1H3,(H,22,26)
• InChIKey: XEEYKYCNOYILJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
• IUPAC Traditional name: N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
• Synonyms: N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.69496
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -4.3414574
• LogD (pH = 7.4): -2.0246332
• Log P: 1.3734113
• Molar Refractivity: 104.0798 cm^3
• Polarizability: 39.855335 Å^3
• Polar Surface Area: 83.29 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: 0.66
• LOG S: -2.46
• Polar Surface Area: 83.29 Å^2
• Rotatable Bonds: 5