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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

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 Formula	C₁₅H₁₉FN₂O₆S
Molecular Weight	374.4 g/mol
XLogP3	0.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	374.09478567 g/mol
Monoisotopic Mass	374.09478567 g/mol
Topological Polar Surface Area	93.8 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	577
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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