5-benzyl-5-[1-(3-phenyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione

• ChemBase ID: 860716
• Molecular Formular: C25H24N4O4
• Molecular Mass: 444.48246
• Monoisotopic Mass: 444.17975527
• SMILES: c1(cc(no1)c1ccccc1)C(=O)N1CCC(C2(C(=O)NC(=O)N2)Cc2ccccc2)CC1
• Canonical SMILES: O=C1NC(=O)C(N1)(Cc1ccccc1)C1CCN(CC1)C(=O)c1onc(c1)c1ccccc1
• InChI: InChI=1S/C25H24N4O4/c30-22(21-15-20(28-33-21)18-9-5-2-6-10-18)29-13-11-19(12-14-29)25(23(31)26-24(32)27-25)16-17-7-3-1-4-8-17/h1-10,15,19H,11-14,16H2,(H2,26,27,31,32)
• InChIKey: XCMGUMLJNZSVBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-benzyl-5-[1-(3-phenyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
• IUPAC Traditional name: 5-benzyl-5-[1-(3-phenyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
• Synonyms: 5-benzyl-5-{1-[(3-phenyl-5-isoxazolyl)carbonyl]-4-piperidinyl}-2,4-imidazolidinedione

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.148524
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.7369163
• LogD (pH = 7.4): 2.7361605
• Log P: 2.7369258
• Molar Refractivity: 121.4182 cm^3
• Polarizability: 47.238613 Å^3
• Polar Surface Area: 104.54 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.83
• LOG S: -5.46
• Polar Surface Area: 104.54 Å^2
• Rotatable Bonds: 5