CAS 149524-45-8

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Also known as: 149524-45-8, (s)-n-((3-(3-fluoro-4-iodophenyl)-2-oxooxazolidin-5-yl)methyl)acetamide, (s)-n-[3-(3-fluoro-4-iodophenyl)-2-oxo-oxazolidin-5-ylmethyl]acetamide, (s)-n-[3-(3-fluoro-4-iodophenyl)-2-oxooxazolidin-5-ylmethyl]acetamide, N-[[(5s)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide, Acetamide,n-[[(5s)-3-(3-fluoro-4-iodophenyl)-2-oxo-5-oxazolidinyl]methyl]-

Molecular Formula

C₁₂H₁₂FIN₂O₃

Molecular Weight

378.14 g/mol

InChI Key

YLWDRZMLYRIMNV-VIFPVBQESA-N

1 2D Structure

CAS 149524-45-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[[(5S)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

2.1.2 InChI

InChI=1S/C12H12FIN2O3/c1-7(17)15-5-9-6-16(12(18)19-9)8-2-3-11(14)10(13)4-8/h2-4,9H,5-6H2,1H3,(H,15,17)/t9-/m0/s1

2.1.3 InChI Key

YLWDRZMLYRIMNV-VIFPVBQESA-N

2.1.4 Canonical SMILES

CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)I)F

2.1.5 Isomeric SMILES

CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)I)F

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 149524-45-8

2. (s)-n-((3-(3-fluoro-4-iodophenyl)-2-oxooxazolidin-5-yl)methyl)acetamide

3. (s)-n-[3-(3-fluoro-4-iodophenyl)-2-oxo-oxazolidin-5-ylmethyl]acetamide

4. (s)-n-[3-(3-fluoro-4-iodophenyl)-2-oxooxazolidin-5-ylmethyl]acetamide

5. N-[[(5s)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

6. Acetamide,n-[[(5s)-3-(3-fluoro-4-iodophenyl)-2-oxo-5-oxazolidinyl]methyl]-

7. N-{[(5s)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide

8. N-{[(5s)-3-{3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide

9. Schembl1033023

10. Dtxsid60459277

11. Act05078

12. Cs-m1500

13. Mfcd09608095

14. Zinc34650309

15. Akos015909773

16. As-37734

17. Ft-0770861

18. A910777

19. (s)-n-[[3-(3-fluoro-4-iodophenyl)-2-oxo-5-oxazolidinyl]methyl]acetamide

20. N-[3-(3-fluoro-4-iodo-phenyl)-2-oxo-oxazolidin-5(s)-ylmethyl]-acetamide

21. (5s)-n-[3-(3-fluoro-4-iodo-phenyl)-2-oxo-oxazolidin-5-ylmethyl]-acetamide

22. (s)(-)-n-[[3-[4-iodo-3-fluorophenyl]-2-oxo-5-oxazolidinyl]methyl] Acetamide

23. (s)-(-)-n-[[3-[4-iodo-3-fluorophenyl]-2-oxo-5-oxazolidinyl]methyl]acetamide

24. N-{[(5s)-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₂FIN₂O₃
Molecular Weight	378.14 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	377.98767 g/mol
Monoisotopic Mass	377.98767 g/mol
Topological Polar Surface Area	58.6 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	369
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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