<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">3949</id>
  <title>T3D3894</title>
  <common-name>Oxadiazon</common-name>
  <description>Oxadiazon is used as pre-emergence and post-emergence herbicide. It is mainly used for cotton, rice, soybean and sunflower and acts by inhibiting protoporphyrinogen oxidase (PPO).  </description>
  <cas>19666-30-9</cas>
  <pubchem-id>29732</pubchem-id>
  <chemical-formula>C15H18Cl2N2O3</chemical-formula>
  <weight nil="true"/>
  <appearance>White powder.</appearance>
  <melting-point></melting-point>
  <boiling-point></boiling-point>
  <density nil="true"/>
  <solubility></solubility>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure>Inhalation; dermal. (L2081)</route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity>'Oxadiazon is a member of the oxadiazole class of herbicides. While current data are limited, EPA has evidence that compounds within a class may share a common mechanism of toxicity. At this time, the Agency does not have sufficient data concerning common mechanism issues to determine whether or not oxadiazon shares a common mechanism of toxicity with other substances, including other oxadiazoles or other probable human carcinogens.' (L2081)</mechanism-of-toxicity>
  <metabolism>Although, examples of all oxadiazole isomers are known, only the biotransformation pathways of compounds containing 1,2,4-oxdiazole rings have been reported so far. (A15200)</metabolism>
  <toxicity>LD50 &gt;5000 mg/kg (oral, rat) (L2081); LD50 &gt;2000 mg/kg (dermal, rabbit) (L2081); LC50 &gt;1.94 mg/L (inhalation, rat) (L2081)</toxicity>
  <lethaldose></lethaldose>
  <carcinogenicity>Not listed by IARC.</carcinogenicity>
  <use-source>This is a man-made compound that is used as an herbicide.</use-source>
  <min-risk-level></min-risk-level>
  <health-effects></health-effects>
  <symptoms></symptoms>
  <treatment></treatment>
  <created-at type="dateTime">2013-04-25T07:56:53Z</created-at>
  <updated-at type="dateTime">2026-03-31T16:51:49Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia></wikipedia>
  <uniprot-id></uniprot-id>
  <kegg-compound-id>C18496</kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id></chebi-id>
  <biocyc-id></biocyc-id>
  <ctd-id></ctd-id>
  <stitch-id></stitch-id>
  <drugbank-id></drugbank-id>
  <pdb-id></pdb-id>
  <actor-id></actor-id>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CC(C)OC1=C(Cl)C=C(Cl)C(=C1)N1N=C(OC1=O)C(C)(C)C</moldb-smiles>
  <moldb-formula>C15H18Cl2N2O3</moldb-formula>
  <moldb-inchi>InChI=1S/C15H18Cl2N2O3/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5/h6-8H,1-5H3</moldb-inchi>
  <moldb-inchikey>CHNUNORXWHYHNE-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">345.221</moldb-average-mass>
  <moldb-mono-mass type="decimal">344.069447866</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp></logp>
  <hmdb-id></hmdb-id>
  <chembl-id>CHEMBL1080648</chembl-id>
  <chemspider-id>27628</chemspider-id>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference></synthesis-reference>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM002855</chemdb-id>
  <dsstox-id>DTXSID3024239</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00008448</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>51.129999999999995</moldb-polar-surface-area>
  <moldb-refractivity>84.8327</moldb-refractivity>
  <moldb-polarizability>34.73506275137991</moldb-polarizability>
  <moldb-rotatable-bond-count>4</moldb-rotatable-bond-count>
  <moldb-acceptor-count>4</moldb-acceptor-count>
  <moldb-donor-count>0</moldb-donor-count>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic>-4.915768642727779</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>2</moldb-number-of-rings>
  <moldb-alogps-logp>4.32</moldb-alogps-logp>
  <moldb-alogps-logs>-5.07</moldb-alogps-logs>
  <moldb-alogps-solubility>2.94e-03 g/l</moldb-alogps-solubility>
</compound>
