7-(3-phenyl-1,2,4-oxadiazol-5-yl)-2,7-diazaspiro[4.4]nonane-1,3-dione

• ChemBase ID: 574412
• Molecular Formular: C15H14N4O3
• Molecular Mass: 298.29666
• Monoisotopic Mass: 298.10659033
• SMILES: n1c(N2CC3(C(=O)NC(=O)C3)CC2)onc1c1ccccc1
• Canonical SMILES: O=C1NC(=O)C2(C1)CCN(C2)c1onc(n1)c1ccccc1
• InChI: InChI=1S/C15H14N4O3/c20-11-8-15(13(21)16-11)6-7-19(9-15)14-17-12(18-22-14)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,16,20,21)
• InChIKey: LUNHNTKGPOKSLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(3-phenyl-1,2,4-oxadiazol-5-yl)-2,7-diazaspiro[4.4]nonane-1,3-dione
• IUPAC Traditional name: 7-(3-phenyl-1,2,4-oxadiazol-5-yl)-2,7-diazaspiro[4.4]nonane-1,3-dione
• Synonyms: 7-(3-phenyl-1,2,4-oxadiazol-5-yl)-2,7-diazaspiro[4.4]nonane-1,3-dione

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.110257
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.9680337
• LogD (pH = 7.4): 1.9672073
• Log P: 1.9680455
• Molar Refractivity: 89.1258 cm^3
• Polarizability: 29.615652 Å^3
• Polar Surface Area: 88.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.69
• LOG S: -2.53
• Polar Surface Area: 88.33 Å^2
• Rotatable Bonds: 2