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Also known as: 858344-36-2, 3-[3-fluoro-4-(4-morpholinyl)phenyl]-5-[[(methylsulfonyl)oxy]methyl]-2-oxazolidinone, [3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate, Linezolid related compound, Schembl14982833, Dtxsid90694795
Molecular Formula
C15H19FN2O6S
Molecular Weight
374.4  g/mol
InChI Key
UCVIKCGVGWBTTI-UHFFFAOYSA-N

CAS 858344-36-2
1 2D Structure

CAS 858344-36-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate
2.1.2 InChI
InChI=1S/C15H19FN2O6S/c1-25(20,21)23-10-12-9-18(15(19)24-12)11-2-3-14(13(16)8-11)17-4-6-22-7-5-17/h2-3,8,12H,4-7,9-10H2,1H3
2.1.3 InChI Key
UCVIKCGVGWBTTI-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CS(=O)(=O)OCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCOCC3)F
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 858344-36-2

2. 3-[3-fluoro-4-(4-morpholinyl)phenyl]-5-[[(methylsulfonyl)oxy]methyl]-2-oxazolidinone

3. [3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl Methanesulfonate

4. Linezolid Related Compound

5. Schembl14982833

6. Dtxsid90694795

7. (3-(3-fluoro-4-morpholinophenyl)-2-oxooxazolidin-5-yl)methylmethanesulfonate

8. Sb44372

9. Db-064969

10. Ft-0697826

11. 344f362

12. A914689

13. Q-100864

14. {3-[3-fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl Methanesulfonate

2.3 Create Date
2011-10-30
3 Chemical and Physical Properties
Molecular Weight 374.4 g/mol
Molecular Formula C15H19FN2O6S
XLogP30.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass374.09478567 g/mol
Monoisotopic Mass374.09478567 g/mol
Topological Polar Surface Area93.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity577
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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