69255 <common-name>5-Amino-3-methylisoxazole</common-name> <description>5-Amino-3-methylisoxazole belongs to the isoxazoles, a subclass of azoles within the organic compounds. It is an organoheterocyclic compound with the chemical formula C4H6N2O1 and an average molecular weight of 98.11 g/mol.</description> <cas>14678-02-5</cas> <pubchem-id>84590</pubchem-id> <chemical-formula>C4H6N2O1</chemical-formula> <weight>98.1</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-04-03T14:45:41Z</created-at> <updated-at type="dateTime">2026-08-22T17:59:31Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CC1=NOC(N)=C1</moldb-smiles> <moldb-formula>C4H6N2O1</moldb-formula> <moldb-inchi>InChI=1S/C4H6N2O/c1-3-2-4(5)7-6-3/h2H,5H2,1H3</moldb-inchi> <moldb-inchikey>FNXYWHTZDAVRTB-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">98.105</moldb-average-mass> <moldb-mono-mass type="decimal">98.048013</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.4</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>38572</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 nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM065148</chemdb-id> <dsstox-id>DTXSID70163474</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00024804</susdat-id> <iupac>3-methyl-1,2-oxazol-5-amine</iupac> <moldb-polar-surface-area>52.05</moldb-polar-surface-area> <moldb-refractivity>26.0452</moldb-refractivity> <moldb-polarizability>9.667103085755775</moldb-polarizability> <moldb-rotatable-bond-count>0</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>16.04736305179524</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>2.9010931318278703</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>0.43</moldb-alogps-logp> <moldb-alogps-logs>-0.38</moldb-alogps-logs> <moldb-alogps-solubility>4.05e+01 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Azoles</klass> <subklass>Isoxazoles</subklass> <paper-count type="integer">25</paper-count> <sync-id>CED0028211</sync-id> <structure-inchikey>FNXYWHTZDAVRTB-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000000000020000000000000000000000000000000800000000000000000000000000000002000000000000000000000000000000000000000000000000000000000004000000000800000000040000000000000000000000000000000000000000000100000000000000000000000000000000000000000000040400100000000000000000000001000000000000000000000000000000000000000000000000000080000000000000000004000000000000000000002000000000000000000000000000000000000000000002010000000000000000000000000000000000040000000000000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAHAAAABwAAAIABBgBgAAAAAQMGQCgAAAAD BAdAKAAAAAMDCEAoAAAAAwIGQCgAAAADBAcAaAAAAAMBAgZAaAAAAAMDAQsA AQABAmgMAgNoDAMEaAwEBSAEBmgMBgFoDEIBAAAABQECAwQGFwQAAAAAAAAA Fg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:19:03Z</structure-indexed-at> </compound>