1 2D Structure

2D Structure

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 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

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