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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 16:11:55 UTC
Update Date2021-09-26 23:11:17 UTC
HMDB IDHMDB0255971
Secondary Accession NumbersNone
Metabolite Identification
Common NameOxazole
DescriptionOxazole, also known as munchnones, belongs to the class of organic compounds known as oxazoles. Oxazoles are compounds containing an oxazole ring, which is a five-membered aromatic heterocycle with one oxygen, one nitrogen, and three carbon atoms. Isomers include 1,2-oxazole and 1,3-oxazole. Based on a literature review a significant number of articles have been published on Oxazole. This compound has been identified in human blood as reported by (PMID: 31557052 ). Oxazole is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Oxazole is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.
Structure
Thumb
Synonyms
ValueSource
1,3 Oxazolium 5 oxidesMeSH
OxazolesMeSH
MunchnonesMeSH
1,3-Oxazolium-5-oxidesMeSH
OxazoleChEBI
Chemical FormulaC3H3NO
Average Molecular Weight69.063
Monoisotopic Molecular Weight69.021463721
IUPAC Name1,3-oxazole
Traditional Nameoxazole
CAS Registry NumberNot Available
SMILES
O1C=CN=C1
InChI Identifier
InChI=1S/C3H3NO/c1-2-5-3-4-1/h1-3H
InChI KeyZCQWOFVYLHDMMC-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as oxazoles. Oxazoles are compounds containing an oxazole ring, which is a five-membered aromatic heterocycle with one oxygen, one nitrogen, and three carbon atoms. Isomers include 1,2-oxazole and 1,3-oxazole.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassAzoles
Sub ClassOxazoles
Direct ParentOxazoles
Alternative Parents
Substituents
  • Heteroaromatic compound
  • Oxazole
  • Oxacycle
  • Azacycle
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID8898
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkOxazole
METLIN IDNot Available
PubChem Compound9255
PDB IDNot Available
ChEBI ID35597
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1118631
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]