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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2171710
CHEMBL2171710
Compound Name OXAZOLE
ChEMBL Synonyms Oxazole
Max Phase 0
Trade Names
Molecular Formula C3H3NO

Additional synonyms for CHEMBL2171710 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES o1ccnc1
Standard InChI InChI=1S/C3H3NO/c1-2-5-3-4-1/h1-3H
Standard InChI Key ZCQWOFVYLHDMMC-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2171710

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
69.1 69.0215 0.67 0 26.03 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 0 0 2 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- .98 .12 .12 1 5 0.45

Structural Alerts

There are no structural alerts for CHEMBL2171710

Compound Cross References

ChemSpider ChemSpider:ZCQWOFVYLHDMMC-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2171710



ACToR 288-42-6
ChEBI 35597
eMolecules 490182
EPA CompTox Dashboard DTXSID70182983
FDA SRS FJZ20I1LPS
Mcule MCULE-4239266587
MolPort MolPort-003-800-221
Nikkaji J24.394I
NMRShiftDB 10016218
PubChem 9255
PubChem: Thomson Pharma 15170342
SureChEMBL SCHEMBL17100817 SCHEMBL14
ZINC ZINC000002022896

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/ZCQWOFVYLHDMMC-UHFFFAOYSA-N spacer
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