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

• ChemBase ID: 355407
• Molecular Formular: C19H25N5O2
• Molecular Mass: 355.4341
• Monoisotopic Mass: 355.20082507
• SMILES: n1c(noc1CN(C(=O)C1NCC2(C1)CCNCC2)C)c1ccccc1
• Canonical SMILES: CN(C(=O)C1NCC2(C1)CCNCC2)Cc1onc(n1)c1ccccc1
• InChI: InChI=1S/C19H25N5O2/c1-24(12-16-22-17(23-26-16)14-5-3-2-4-6-14)18(25)15-11-19(13-21-15)7-9-20-10-8-19/h2-6,15,20-21H,7-13H2,1H3
• InChIKey: WATOLLDGORNBNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -5.4456415
• LogD (pH = 7.4): -3.9974272
• Log P: 1.2382647
• Molar Refractivity: 109.7466 cm^3
• Polarizability: 38.77505 Å^3
• Polar Surface Area: 83.29 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: 1.31
• LOG S: -2.91
• Polar Surface Area: 83.29 Å^2
• Rotatable Bonds: 4