N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.5]decane-7-carboxamide

• ChemBase ID: 717258
• Molecular Formular: C19H23N5O4
• Molecular Mass: 385.41702
• Monoisotopic Mass: 385.17500424
• SMILES: c1(nc(no1)CC)c1c(NC(=O)N2CC3(OC(=O)N(C3)C)CCC2)cccc1
• Canonical SMILES: CCc1noc(n1)c1ccccc1NC(=O)N1CCCC2(C1)OC(=O)N(C2)C
• InChI: InChI=1S/C19H23N5O4/c1-3-15-21-16(28-22-15)13-7-4-5-8-14(13)20-17(25)24-10-6-9-19(12-24)11-23(2)18(26)27-19/h4-5,7-8H,3,6,9-12H2,1-2H3,(H,20,25)
• InChIKey: MPBJGZNQEZADMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.5]decane-7-carboxamide
• IUPAC Traditional name: N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.5]decane-7-carboxamide
• Synonyms: N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.5]decane-7-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.986811
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.5254073
• LogD (pH = 7.4): 2.5253966
• Log P: 2.5254076
• Molar Refractivity: 113.4058 cm^3
• Polarizability: 38.743107 Å^3
• Polar Surface Area: 100.8 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 2.38
• LOG S: -4.04
• Polar Surface Area: 100.8 Å^2
• Rotatable Bonds: 3