1,3-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide

• ChemBase ID: 550344
• Molecular Formular: C19H21N5O4
• Molecular Mass: 383.40114
• Monoisotopic Mass: 383.15935418
• SMILES: N1(C(=O)N(C2(C1=O)CCN(C(=O)Nc1cc(c3ocnc3)ccc1)CC2)C)C
• Canonical SMILES: O=C(N1CCC2(CC1)N(C)C(=O)N(C2=O)C)Nc1cccc(c1)c1cnco1
• InChI: InChI=1S/C19H21N5O4/c1-22-16(25)19(23(2)18(22)27)6-8-24(9-7-19)17(26)21-14-5-3-4-13(10-14)15-11-20-12-28-15/h3-5,10-12H,6-9H2,1-2H3,(H,21,26)
• InChIKey: QGESSEDPZGYKEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide
• IUPAC Traditional name: 1,3-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide
• Synonyms: 1,3-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.165574
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.10420972
• LogD (pH = 7.4): -0.104204655
• Log P: -0.10420387
• Molar Refractivity: 101.4565 cm^3
• Polarizability: 39.01317 Å^3
• Polar Surface Area: 98.99 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: -0.24
• LOG S: -3.1
• Polar Surface Area: 98.99 Å^2
• Rotatable Bonds: 2