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A9O : Summary
Code ![](/pdbe/static/images/help.png)
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A9O
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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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5-ETHYL-3-METHYL-4-PHENYL-1,2-OXAZOLE
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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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C12 H13 N O
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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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187.238 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 |
n2oc(c(c1ccccc1)c2C)CC |
SMILES
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CACTVS |
3.385 |
CCc1onc(C)c1c2ccccc2 |
SMILES
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OpenEye OEToolkits |
1.9.2 |
CCc1c(c(no1)C)c2ccccc2 |
Canonical SMILES
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CACTVS |
3.385 |
CCc1onc(C)c1c2ccccc2 |
Canonical SMILES
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OpenEye OEToolkits |
1.9.2 |
CCc1c(c(no1)C)c2ccccc2 |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C12H13NO/c1-3-11-12(9(2)13-14-11)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | RWCFZRPXMBQSOA-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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27 (14 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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2011-11-26
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Last modified at ![](/pdbe/static/images/help.png)
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2014-09-05
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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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