Summary

IMPPAT Phytochemical identifier: IMPHY009585

Phytochemical name: Isoxazol-4-ol

Synonymous chemical names:
4-hydroxyisoxazole

External chemical identifiers:
CID:13117012, ZINC:ZINC000039399146, SureChEMBL:SCHEMBL277062, MolPort-023-314-096

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Chemical structure information

SMILES:
Oc1conc1

InChI:
InChI=1S/C3H3NO2/c5-3-1-4-6-2-3/h1-2,5H

InChIKey:
ABFBKQBATYREHU-UHFFFAOYSA-N

DeepSMILES:
Occonc5

Functional groups:
cO, cnoc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1cnoc1

Scaffold Graph/Node level:
C1CNOC1

Scaffold Graph level:
C1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Azoles

ClassyFire Subclass: Isoxazoles

NP-Likeness score: -0.202

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Chemical structure download