5,5-dimethyl-3-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-1,3-oxazolidine-2,4-dione

• ChemBase ID: 681242
• Molecular Formular: C15H16N2O4
• Molecular Mass: 288.29854
• Monoisotopic Mass: 288.111007
• SMILES: N1(C(=O)OC(C1=O)(C)C)CC1ON=C(C1)c1ccccc1
• Canonical SMILES: O=C1OC(C(=O)N1CC1ON=C(C1)c1ccccc1)(C)C
• InChI: InChI=1S/C15H16N2O4/c1-15(2)13(18)17(14(19)20-15)9-11-8-12(16-21-11)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3
• InChIKey: ZRZNEYRHLDGWMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,5-dimethyl-3-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-1,3-oxazolidine-2,4-dione
• IUPAC Traditional name: 5,5-dimethyl-3-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-1,3-oxazolidine-2,4-dione
• Synonyms: 5,5-dimethyl-3-[(3-phenyl-4,5-dihydroisoxazol-5-yl)methyl]-1,3-oxazolidine-2,4-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.2357612
• LogD (pH = 7.4): 2.248894
• Log P: 2.249064
• Molar Refractivity: 73.8065 cm^3
• Polarizability: 28.8757 Å^3
• Polar Surface Area: 68.2 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.76
• LOG S: -2.81
• Polar Surface Area: 68.2 Å^2
• Rotatable Bonds: 3