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Technical details about (4S,5S)-4-Methyl-5-Phenyl-2-Oxazolidinone, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: 17097-67-5, (4s,5s)-4-methyl-5-phenyloxazolidin-2-one, (4s,5s)-4-methyl-5-phenyl-1,3-oxazolidin-2-one, Schembl5544656, Dtxsid70454975, Zinc389616
Molecular Formula
C10H11NO2
Molecular Weight
177.20  g/mol
InChI Key
PPIBJOQGAJBQDF-IONNQARKSA-N

1 2D Structure

2D Structure

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

4. Schembl5544656

5. Dtxsid70454975

6. Zinc389616

7. Akos027447683

8. 4beta-methyl-5alpha-phenyloxazolidine-2-one

9. ((4s,5s)-4-methyl-5-phenyl-2-oxazolidinone

10. (4s,5s)-4-methyl-5-phenyl-oxazolidin-2-one

11. (4s,5s)-(+)-4-methyl-5-phenyl-2-oxazolidinone

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 177.20 g/mol
Molecular Formula C10H11NO2
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass177.078978594 g/mol
Monoisotopic Mass177.078978594 g/mol
Topological Polar Surface Area38.3 Ų
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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