Methyl 5-(3-Cyanophenyl)isoxazole-3-carboxylate - CAS 956360-06-8
Catalog: |
BB041783 |
Product Name: |
Methyl 5-(3-Cyanophenyl)isoxazole-3-carboxylate |
CAS: |
956360-06-8 |
Synonyms: |
5-(3-cyanophenyl)-3-isoxazolecarboxylic acid methyl ester; methyl 5-(3-cyanophenyl)-1,2-oxazole-3-carboxylate |
IUPAC Name: | methyl 5-(3-cyanophenyl)-1,2-oxazole-3-carboxylate |
Description: | Methyl 5-(3-Cyanophenyl)isoxazole-3-carboxylate (CAS# 956360-06-8) is a useful research chemical. |
Molecular Weight: | 228.20 |
Molecular Formula: | C12H8N2O3 |
Canonical SMILES: | COC(=O)C1=NOC(=C1)C2=CC=CC(=C2)C#N |
InChI: | InChI=1S/C12H8N2O3/c1-16-12(15)10-6-11(17-14-10)9-4-2-3-8(5-9)7-13/h2-6H,1H3 |
InChI Key: | AKKNAJJXVYKRHT-UHFFFAOYSA-N |
Appearance: | Solid |
LogP: | 1.99988 |
Publication Number | Title | Priority Date |
EP-2027129-A2 | Fused heterocylic compounds and their use as mglur5 modulators | 20060505 |
JP-2009536213-A | Fused heterocyclic compounds and their use as MGLUR5 modulators | 20060505 |
KR-20090018935-A | Fused Heterocyclic Compounds and Their Uses as MBLVR5 Modulators | 20060505 |
MX-2008013834-A | HETEROCICLICAL COMPUTERS AND ITS USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEIVER 5 (MGLUR5). | 20060505 |
TW-200808800-A | MGluR5 modulators V | 20060505 |
Complexity: | 336 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.05349212 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.05349212 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 76.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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