<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 02:58:27 UTC</creation_date>
  <update_date>2026-08-23 02:46:57 UTC</update_date>
  <accession/>
  <common_name>Oxazole, 2-ethyl-4,5-dihydro-</common_name>
  <class>SmallMolecule</class>
  <description>Oxazole, 2-ethyl-4,5-dihydro- is an organic compound with the chemical formula $\text{C}_5\text{H}_9\text{NO}$ and an average molecular weight of 99.13 g/mol. Oxazole, 2-ethyl-4,5-dihydro- belongs to the oxazolines, a subclass of azolines within the organic compounds. This substance is categorized as an organoheterocyclic compound.

The compound is associated with eight recorded sources across various sectors. Within electrical and electronic equipment, it is found in or released from antennas, contacts, electric switches, and emergency protective devices. In the context of food, food processing, and cookware, it is linked to meat processing and fermentation processes for beer. Additionally, it is identified in household cleaning and consumer products, specifically in soap dispensers and cigar cigarettes.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C5H9NO</chemical_formula>
  <average_molecular_weight>99.133</average_molecular_weight>
  <monisotopic_moleculate_weight>99.068413914</monisotopic_moleculate_weight>
  <iupac_name>2-ethyl-4,5-dihydro-1,3-oxazole</iupac_name>
  <traditional_iupac>2-ethyl-4,5-dihydro-1,3-oxazole</traditional_iupac>
  <cas_registry_number>10431-98-8</cas_registry_number>
  <smiles>CCC1=NCCO1</smiles>
  <inchi>InChI=1S/C5H9NO/c1-2-5-6-3-4-7-5/h2-4H2,1H3</inchi>
  <inchikey>NYEZZYQZRQDLEH-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organoheterocyclic compounds</super_class>
    <class>Azolines</class>
    <sub_class>Oxazolines</sub_class>
    <direct_parent>Oxazolines</direct_parent>
    <alternate_parents>
      <alternative_parent>Azacyclic compounds</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Imidoesters</alternative_parent>
      <alternative_parent>Organonitrogen compounds</alternative_parent>
      <alternative_parent>Organooxygen compounds</alternative_parent>
      <alternative_parent>Organopnictogen compounds</alternative_parent>
      <alternative_parent>Oxacyclic compounds</alternative_parent>
      <alternative_parent>Propargyl-type 1,3-dipolar organic compounds</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Aliphatic heteromonocyclic compound</substituent>
      <substituent>Azacycle</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Imido ester</substituent>
      <substituent>Organic 1,3-dipolar compound</substituent>
      <substituent>Organic nitrogen compound</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organonitrogen compound</substituent>
      <substituent>Organooxygen compound</substituent>
      <substituent>Organopnictogen compound</substituent>
      <substituent>Oxacycle</substituent>
      <substituent>Oxazoline</substituent>
      <substituent>Propargyl-type 1,3-dipolar organic compound</substituent>
    </substituents>
    <molecular_framework>Aliphatic heteromonocyclic compounds</molecular_framework>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>0.3</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>1.00</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-0.81</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>1.54e+01 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>0.65</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>4.32</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>2-ethyl-4,5-dihydro-1,3-oxazole</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>99.133</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>99.068413914</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CCC1=NCCO1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C5H9NO</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C5H9NO/c1-2-5-6-3-4-7-5/h2-4H2,1H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>NYEZZYQZRQDLEH-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>21.59</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>27.29</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>10.93</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>donor_count</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>physiological_charge</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formal_charge</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <use_source/>
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  <symptoms/>
  <treatment/>
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  <hmdb_id/>
  <pubchem_compound_id>66412</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>59786</chemspider_id>
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</compound>
