3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-(piperidin-4-yl)-5-(pyridin-3-yl)imidazolidine-2,4-dione

• ChemBase ID: 559150
• Molecular Formular: C19H23N5O3
• Molecular Mass: 369.41762
• Monoisotopic Mass: 369.18008962
• SMILES: N1(C(=O)C(NC1=O)(c1cnccc1)C1CCNCC1)Cc1onc(c1)CC
• Canonical SMILES: CCc1noc(c1)CN1C(=O)NC(C1=O)(C1CCNCC1)c1cccnc1
• InChI: InChI=1S/C19H23N5O3/c1-2-15-10-16(27-23-15)12-24-17(25)19(22-18(24)26,13-5-8-20-9-6-13)14-4-3-7-21-11-14/h3-4,7,10-11,13,20H,2,5-6,8-9,12H2,1H3,(H,22,26)
• InChIKey: KGOLZSVFASAEPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-(piperidin-4-yl)-5-(pyridin-3-yl)imidazolidine-2,4-dione
• IUPAC Traditional name: 3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-(piperidin-4-yl)-5-(pyridin-3-yl)imidazolidine-2,4-dione
• Synonyms: 3-[(3-ethylisoxazol-5-yl)methyl]-5-piperidin-4-yl-5-pyridin-3-ylimidazolidine-2,4-dione

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.614588
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -2.7647698
• LogD (pH = 7.4): -2.0363724
• Log P: -5.0157454E-4
• Molar Refractivity: 98.2334 cm^3
• Polarizability: 37.70984 Å^3
• Polar Surface Area: 100.36 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: 1.1
• LOG S: -2.83
• Polar Surface Area: 100.36 Å^2
• Rotatable Bonds: 5