N,2-dimethyl-N-{[3-(pyridin-3-yl)-1,2-oxazol-5-yl]methyl}-2,8-diazaspiro[4.5]decane-3-carboxamide

• ChemBase ID: 853134
• Molecular Formular: C20H27N5O2
• Molecular Mass: 369.46068
• Monoisotopic Mass: 369.21647513
• SMILES: C(=O)(C1N(CC2(C1)CCNCC2)C)N(Cc1cc(no1)c1cnccc1)C
• Canonical SMILES: CN1CC2(CC1C(=O)N(Cc1onc(c1)c1cccnc1)C)CCNCC2
• InChI: InChI=1S/C20H27N5O2/c1-24(13-16-10-17(23-27-16)15-4-3-7-22-12-15)19(26)18-11-20(14-25(18)2)5-8-21-9-6-20/h3-4,7,10,12,18,21H,5-6,8-9,11,13-14H2,1-2H3
• InChIKey: GMFIZOMCFVNESN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,2-dimethyl-N-{[3-(pyridin-3-yl)-1,2-oxazol-5-yl]methyl}-2,8-diazaspiro[4.5]decane-3-carboxamide
• IUPAC Traditional name: N,2-dimethyl-N-{[3-(pyridin-3-yl)-1,2-oxazol-5-yl]methyl}-2,8-diazaspiro[4.5]decane-3-carboxamide
• Synonyms: N,2-dimethyl-N-{[3-(3-pyridinyl)-5-isoxazolyl]methyl}-2,8-diazaspiro[4.5]decane-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -5.3455405
• LogD (pH = 7.4): -3.0917547
• Log P: 0.35376838
• Molar Refractivity: 103.6139 cm^3
• Polarizability: 41.268654 Å^3
• Polar Surface Area: 74.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: -0.67
• LOG S: -2.63
• Polar Surface Area: 74.5 Å^2
• Rotatable Bonds: 4