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AZD6564

CAT: 0013-GTR19208254-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208254-01Size:25 mg
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Description
AZD6564
CAS Number
1251841-50-5
Field of Research
Protein Biochemistry
Smiles
C (C (C) (C) C) [C@H]1C[C@H] (CCN1) C2=CC (=O) NO2
Molecular Formula
C13H22N2O2
Molecular Weight
238.33
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-[(2R,4S)-2-(2,2-dimethylpropyl)piperidin-4-yl]-1,2-oxazol-3-one
CAS Number1251841-50-5
PubChem CID46938101
IUPAC Name5-[(2R,4S)-2-(2,2-dimethylpropyl)piperidin-4-yl]-1,2-oxazol-3-one
Molecular FormulaC13H22N2O2
Molecular Weight238.33
XLogP2
Topological Polar Surface Area50.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity331
SMILES
CC(C)(C)C[C@H]1C[C@H](CCN1)C2=CC(=O)NO2
InChI
InChI=1S/C13H22N2O2/c1-13(2,3)8-10-6-9(4-5-14-10)11-7-12(16)15-17-11/h7,9-10,14H,4-6,8H2,1-3H3,(H,15,16)/t9-,10+/m0/s1
InChIKey
ORLPPUHANSFJCS-VHSXEESVSA-N
Chemical Structure
2D Structure
2D structure of 5-[(2R,4S)-2-(2,2-dimethylpropyl)piperidin-4-yl]-1,2-oxazol-3-one
CAS: 1251841-50-5
CID: 46938101
Formula: C13H22N2O2
MW: 238.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight238.33
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass238.168127949
Monoisotopic Mass238.168127949
Topological Polar Surface Area50.4 Ų
Heavy Atom Count17
Formal Charge0
Complexity331
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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