2-[4-(1,3-oxazol-5-yl)benzoyl]-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 453155
• Molecular Formular: C18H19N3O3
• Molecular Mass: 325.36176
• Monoisotopic Mass: 325.14264148
• SMILES: N1(C(=O)c2ccc(c3ocnc3)cc2)CC2(C(=O)NCCC2)CC1
• Canonical SMILES: O=C1NCCCC21CCN(C2)C(=O)c1ccc(cc1)c1cnco1
• InChI: InChI=1S/C18H19N3O3/c22-16(14-4-2-13(3-5-14)15-10-19-12-24-15)21-9-7-18(11-21)6-1-8-20-17(18)23/h2-5,10,12H,1,6-9,11H2,(H,20,23)
• InChIKey: RDWWVPUIKKEPLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(1,3-oxazol-5-yl)benzoyl]-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-[4-(1,3-oxazol-5-yl)benzoyl]-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-[4-(1,3-oxazol-5-yl)benzoyl]-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.292311
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.5085834
• LogD (pH = 7.4): 0.50858897
• Log P: 0.5085891
• Molar Refractivity: 88.3691 cm^3
• Polarizability: 34.58182 Å^3
• Polar Surface Area: 75.44 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -1.0
• LOG S: -2.03
• Polar Surface Area: 75.44 Å^2
• Rotatable Bonds: 2