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Ezetimibe Impurity 53

CAT: 1299-RM-E262053-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-E262053-02Size:25 mg
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CAS Number
1212276-33-9
Synonyms
(S) -4-phenyl-3-pivaloyloxazolidin-2-one
Molecular Formula
C14H17NO3
Molecular Weight
247.29
Target Alternative Name
Ezetimibe
Product Name Synonym
(S) -4-phenyl-3-pivaloyloxazolidin-2-one

Chemical Information

(S)-4-phenyl-3-pivaloyloxazolidin-2-one
CAS Number1212276-33-9
PubChem CID2755279
IUPAC Name(4S)-3-(2,2-dimethylpropanoyl)-4-phenyl-1,3-oxazolidin-2-one
Molecular FormulaC14H17NO3
Molecular Weight247.29
XLogP2.6
Topological Polar Surface Area46.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity339
SMILES
CC(C)(C)C(=O)N1[C@H](COC1=O)C2=CC=CC=C2
InChI
InChI=1S/C14H17NO3/c1-14(2,3)12(16)15-11(9-18-13(15)17)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3/t11-/m1/s1
InChIKey
RCYGSFKQQKHMBE-LLVKDONJSA-N
Chemical Structure
2D Structure
2D structure of (S)-4-phenyl-3-pivaloyloxazolidin-2-one
CAS: 1212276-33-9
CID: 2755279
Formula: C14H17NO3
MW: 247.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight247.29
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass247.12084340
Monoisotopic Mass247.12084340
Topological Polar Surface Area46.6 Ų
Heavy Atom Count18
Formal Charge0
Complexity339
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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