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3M4 : Summary
Code ![](/pdbe/static/images/help.png)
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3M4
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C15 H13 N3 O2
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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267.283 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
n3ccc(c1nc(on1)c2ccccc2OCC)cc3 |
SMILES
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CACTVS |
3.370 |
CCOc1ccccc1c2onc(n2)c3ccncc3 |
SMILES
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OpenEye OEToolkits |
1.7.0 |
CCOc1ccccc1c2nc(no2)c3ccncc3 |
Canonical SMILES
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CACTVS |
3.370 |
CCOc1ccccc1c2onc(n2)c3ccncc3 |
Canonical SMILES
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OpenEye OEToolkits |
1.7.0 |
CCOc1ccccc1c2nc(no2)c3ccncc3 |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C15H13N3O2/c1-2-19-13-6-4-3-5-12(13)15-17-14(18-20-15)11-7-9-16-10-8-11/h3-10H,2H2,1H3 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | KGGKTXHZJKALQU-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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33 (20 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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NON-POLYMER
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2011-03-07
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Last modified at ![](/pdbe/static/images/help.png)
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2011-08-19
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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