(4R,5R)-4-Methyl-5-Phenyl-2-Oxazolidinone manufacturers and suppliers on PharmaCompass

Chemistry

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Also known as: 125133-96-2, (4r,5r)-4-methyl-5-phenyl-2-oxazolidinone, 2-oxazolidinone, 4-methyl-5-phenyl-, (4r,5r)-, Schembl6374631, Zinc155919, Akos006306336
Molecular Formula
C10H11NO2
Molecular Weight
177.20  g/mol
InChI Key
PPIBJOQGAJBQDF-APPZFPTMSA-N

(4R,5R)-4-Methyl-5-Phenyl-2-Oxazolidinone
1 2D Structure

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

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(4R,5R)-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-APPZFPTMSA-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. 125133-96-2

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

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

4. Schembl6374631

5. Zinc155919

6. Akos006306336

7. 4alpha-methyl-5beta-phenyloxazolidine-2-one

8. (4r,5r)-4-methyl-5-phenyloxazolidin-2-one

2.3 Create Date
2006-05-23
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

BUILDING BLOCK

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