3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 760962
• Molecular Formular: C11H15N5O3
• Molecular Mass: 265.2685
• Monoisotopic Mass: 265.11748937
• SMILES: N1(C(=O)NC2(C1=O)CCNCC2)Cc1nc(on1)C
• Canonical SMILES: Cc1onc(n1)CN1C(=O)NC2(C1=O)CCNCC2
• InChI: InChI=1S/C11H15N5O3/c1-7-13-8(15-19-7)6-16-9(17)11(14-10(16)18)2-4-12-5-3-11/h12H,2-6H2,1H3,(H,14,18)
• InChIKey: ZEEWLZJTCLAUCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Rotatable Bonds: 2
• H Acceptors: 6
• H Donor: 2
• Log P: -0.78
• LOG S: -1.78
• Polar Surface Area: 100.36 Å^2

JChem

• Lipinski's Rule of Five: true
• Acid pKa: 10.866027
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -4.507887
• LogD (pH = 7.4): -3.7121656
• Log P: -1.6307364
• Molar Refractivity: 65.3191 cm^3
• Polarizability: 24.590485 Å^3
• Polar Surface Area: 100.36 Å^2
• Rotatable Bonds: 2