11-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane

• ChemBase ID: 828935
• Molecular Formular: C18H30N4O2
• Molecular Mass: 334.4564
• Monoisotopic Mass: 334.23687622
• SMILES: c1(C(=O)N2CC3(N(CCC2)C)CCN(CC3)C)c(nc(o1)CC)C
• Canonical SMILES: CCc1nc(c(o1)C(=O)N1CCCN(C2(C1)CCN(CC2)C)C)C
• InChI: InChI=1S/C18H30N4O2/c1-5-15-19-14(2)16(24-15)17(23)22-10-6-9-21(4)18(13-22)7-11-20(3)12-8-18/h5-13H2,1-4H3
• InChIKey: SZXKMFDNVBZDLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 11-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane
• IUPAC Traditional name: 11-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane
• Synonyms: 11-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)carbonyl]-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -4.3602257
• LogD (pH = 7.4): -1.7665368
• Log P: -0.054244343
• Molar Refractivity: 95.432 cm^3
• Polarizability: 36.38147 Å^3
• Polar Surface Area: 52.82 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.25
• LOG S: -3.16
• Polar Surface Area: 52.82 Å^2
• Rotatable Bonds: 2