(4R,5S)-4-Methyl-5-phenyloxazolidin-2-one

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Also known as: 77943-39-6, (4r,5s)-4-methyl-5-phenyloxazolidin-2-one, (4r,5s)-4-methyl-5-phenyl-2-oxazolidinone, (4r,5s)-4-methyl-5-phenyl-1,3-oxazolidin-2-one, 2-oxazolidinone, 4-methyl-5-phenyl-, (4r,5s)-, 05339k0t1y

Molecular Formula

C₁₀H₁₁NO₂

Molecular Weight

177.20 g/mol

InChI Key

PPIBJOQGAJBQDF-VXNVDRBHSA-N

FDA UNII

05339K0T1Y

1 2D Structure

(4R,5S)-(+)-4-Methyl-5-Phenyl-2-Oxazolidinone

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(4R,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-/m1/s1

2.1.3 InChI Key

PPIBJOQGAJBQDF-VXNVDRBHSA-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 Other Identifiers

2.2.1 UNII

05339K0T1Y

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 4-methyl-5-phenyl-1,3-oxazolidin-2-one

2. 4-methyl-5-phenyl-1,3-oxazolidin-2-one, (cis-(+-))-isomer

3. Meph-2-oxazolidinone

2.3.2 Depositor-Supplied Synonyms

1. 77943-39-6

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

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

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

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

6. 05339k0t1y

7. 2-oxazolidinone, 4-methyl-5-phenyl-, (4r-cis)-

8. Meph-2-oxazolidinone

9. Mfcd00010845

10. Unii-05339k0t1y

11. 4-methyl-5-phenyl-2-oxazolidinone (4r-cis)-

12. Schembl4291

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

14. (4r,5s)-(-)-4-methyl-5-phenyl-2-oxazolidinone

15. Zinc389617

16. Amy30719

17. Cda94339

18. Akos016843472

19. Cs-w017369

20. Cs-11241

21. Db-075394

22. 4alpha-methyl-5alpha-phenyl-2-oxazolidinone

23. (4r,5s)-4-methyl-5-phenyl-oxazolidin-2-one

24. (4r,5s)-4-methyl-5-phenyl-oxazolidine-2-one

25. 4-(r)-methyl-5-(s)-phenyl-oxazolidin-2-one

26. (4r, 5s)-4-methyl-5-phenyl-oxazolidin-2-one

27. (4r,5s)-4-methyl-5-phenyloxazolidinone

28. (4r,5s)-(+)-4-methyl-5-phenyloxazolidin-2-one

29. 943m396

30. A839298

31. (4r, 5s)-(+)-4-methyl-5-phenyl-2-oxazolidinone

32. A1-00387

33. Q27236062

34. (4r,5s)-(+)-4-methyl-5-phenyl-2-oxazolidinone, 99%

35. (4r,5s)-4-methyl-5-phenyl-oxazolidin-2-one;(4r,5s)-(+)-4-methyl-5-phenyl-2-oxazolidinone

2.4 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₁NO₂
Molecular Weight	177.20 g/mol
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	177.078978594 g/mol
Monoisotopic Mass	177.078978594 g/mol
Topological Polar Surface Area	38.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	199
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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