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Overview of (4S,5S)-4-Methyl-5-Phenyl-2-Oxazolidinone

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(4S,5S)-4-methyl-5-phenyl-oxazolidin-2-one
PharmaCompass
  • Chemistry
(4S,5S)-4-methyl-5-phenyl-oxazolidin-2-one
Also known as: 17097-67-5, (4s,5s)-4-methyl-5-phenyloxazolidin-2-one, 2-oxazolidinone,4-methyl-5-phenyl-, (4s,5s)-, Schembl5544656, Ctk4d3781, Dtxsid70454975
Molecular Formula
C10H11NO2
Molecular Weight
177.203  g/mol
InChI Key
PPIBJOQGAJBQDF-IONNQARKSA-N

1 2D Structure

(4S,5S)-4-methyl-5-phenyl-oxazolidin-2-one

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(4S,5S)-4-methyl-5-phenyl-1,3-oxazolidin-2-one
2.1.2 InChI
InChI=1S/C10H11NO2/c1-7-9(13-10(12)11-7)8-5-3-2-4-6-8/h2-7,9H,1H3,(H,11,12)/t7-,9+/m0/s1
2.1.3 InChI Key
PPIBJOQGAJBQDF-IONNQARKSA-N
2.1.4 Canonical SMILES
CC1C(OC(=O)N1)C2=CC=CC=C2
2.1.5 Isomeric SMILES
C[C@H]1[C@@H](OC(=O)N1)C2=CC=CC=C2
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 17097-67-5

2. (4s,5s)-4-methyl-5-phenyloxazolidin-2-one

3. 2-oxazolidinone,4-methyl-5-phenyl-, (4s,5s)-

4. Schembl5544656

5. Ctk4d3781

6. Dtxsid70454975

7. Ppibjoqgajbqdf-ionnqarksa-n

8. Zinc389616

9. Akos027447683

10. Zb011792

11. 4beta-methyl-5alpha-phenyloxazolidine-2-one

12. Ft-0671941

13. ((4s,5s)-4-methyl-5-phenyl-2-oxazolidinone

14. (4s,5s)-4-methyl-5-phenyl-oxazolidin-2-one

15. (4s,5s)-4-methyl-5-phenyl-1,3-oxazolidin-2-one

16. (4s,5r)-(-)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidine

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 177.203 g/mol
Molecular Formula C10H11NO2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass177.079 g/mol
Monoisotopic Mass177.079 g/mol
Topological Polar Surface Area38.3 A^2
Heavy Atom Count13
Formal Charge0
Complexity199
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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