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VU 0285683

CAT: 0607-B5569-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B5569-50Size:50 mg
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Description
negative allosteric modulator of mGlu5 receptors
CAS Number
327056-22-4
Product Name Alternative
3-fluoro-5-(3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl)benzonitrile
Field of Research
Neuroscience GluR
Purity
0.98
Form
White solid
Solubility
<6.66mg/ml in ethanol; <13.31mg/ml in DMSO
Smiles
FC1=CC(C#N)=CC(C2=NC(C3=NC=CC=C3)=NO2)=C1
Molecular Formula
C14H7FN4O
Molecular Weight
266.23
Shipping Conditions
Blue ice
Storage Conditions
Store at RT.

Chemical Information

VU0285683
CAS Number327056-22-4
PubChem CID9816778
IUPAC Name3-fluoro-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile
Molecular FormulaC14H7FN4O
Molecular Weight266.23
XLogP1.9
Topological Polar Surface Area75.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity385
SMILES
C1=CC=NC(=C1)C2=NOC(=N2)C3=CC(=CC(=C3)C#N)F
InChI
InChI=1S/C14H7FN4O/c15-11-6-9(8-16)5-10(7-11)14-18-13(19-20-14)12-3-1-2-4-17-12/h1-7H
InChIKey
GELAFISMURFRCA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of VU0285683
CAS: 327056-22-4
CID: 9816778
Formula: C14H7FN4O
MW: 266.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight266.23
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass266.06038902
Monoisotopic Mass266.06038902
Topological Polar Surface Area75.6 Ų
Heavy Atom Count20
Formal Charge0
Complexity385
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
257059-01VU 0285683

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