N-[(6-fluoro-1H-1,3-benzodiazol-2-yl)methyl]-N-methyl-3-(1,2-oxazolidin-2-yl)propanamide

• ChemBase ID: 550610
• Molecular Formular: C15H19FN4O2
• Molecular Mass: 306.3353632
• Monoisotopic Mass: 306.14920409
• SMILES: c1(nc2c([nH]1)cc(cc2)F)CN(C(=O)CCN1OCCC1)C
• Canonical SMILES: Fc1ccc2c(c1)[nH]c(n2)CN(C(=O)CCN1CCCO1)C
• InChI: InChI=1S/C15H19FN4O2/c1-19(15(21)5-7-20-6-2-8-22-20)10-14-17-12-4-3-11(16)9-13(12)18-14/h3-4,9H,2,5-8,10H2,1H3,(H,17,18)
• InChIKey: WQTWQGBCEQBPTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(6-fluoro-1H-1,3-benzodiazol-2-yl)methyl]-N-methyl-3-(1,2-oxazolidin-2-yl)propanamide
• IUPAC Traditional name: N-[(5-fluoro-3H-1,3-benzodiazol-2-yl)methyl]-N-methyl-3-(1,2-oxazolidin-2-yl)propanamide
• Synonyms: N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-isoxazolidin-2-yl-N-methylpropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.069269
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.123677865
• LogD (pH = 7.4): 0.27130872
• Log P: 0.27367455
• Molar Refractivity: 79.3028 cm^3
• Polarizability: 31.7438 Å^3
• Polar Surface Area: 61.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.31
• LOG S: -3.01
• Polar Surface Area: 61.46 Å^2
• Rotatable Bonds: 5