N,N-dimethyl-5-{[(4S)-2-oxo-4-(propan-2-yl)-1,3-oxazolidin-3-yl]methyl}furan-2-carboxamide

• ChemBase ID: 697328
• Molecular Formular: C14H20N2O4
• Molecular Mass: 280.3196
• Monoisotopic Mass: 280.14230713
• SMILES: N1(C(=O)OC[C@@H]1C(C)C)Cc1oc(C(=O)N(C)C)cc1
• Canonical SMILES: CC([C@H]1COC(=O)N1Cc1ccc(o1)C(=O)N(C)C)C
• InChI: InChI=1S/C14H20N2O4/c1-9(2)11-8-19-14(18)16(11)7-10-5-6-12(20-10)13(17)15(3)4/h5-6,9,11H,7-8H2,1-4H3/t11-/m1/s1
• InChIKey: FUCIHEUJWWPYNU-LLVKDONJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-5-{[(4S)-2-oxo-4-(propan-2-yl)-1,3-oxazolidin-3-yl]methyl}furan-2-carboxamide
• IUPAC Traditional name: 5-{[(4S)-4-isopropyl-2-oxo-1,3-oxazolidin-3-yl]methyl}-N,N-dimethylfuran-2-carboxamide
• Synonyms: 5-{[(4S)-4-isopropyl-2-oxo-1,3-oxazolidin-3-yl]methyl}-N,N-dimethyl-2-furamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.1716136
• LogD (pH = 7.4): 1.1716136
• Log P: 1.1716136
• Molar Refractivity: 73.0811 cm^3
• Polarizability: 27.856096 Å^3
• Polar Surface Area: 62.99 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.0
• LOG S: -2.1
• Polar Surface Area: 62.99 Å^2
• Rotatable Bonds: 4