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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL451894
CHEMBL451894
Compound Name BENZO[D]OXAZOLE
ChEMBL Synonyms Benzo[D]Oxazole
Max Phase 0
Trade Names
Molecular Formula C7H5NO

Additional synonyms for CHEMBL451894 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES o1cnc2ccccc12
Standard InChI InChI=1S/C7H5NO/c1-2-4-7-6(3-1)8-5-9-7/h1-5H
Standard InChI Key BCMCBBGGLRIHSE-UHFFFAOYSA-N

Structural Alerts

There are no structural alerts for CHEMBL451894

Alternate Forms of Compound in ChEMBL


CHEMBL451894

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
119.1 119.0371 1.36 0 26.03 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 0 0 2 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 1.17 1.59 1.59 2 9 0.51

Compound Cross References

ChemSpider ChemSpider:BCMCBBGGLRIHSE-UHFFFAOYSA-N
Wikipedia Benzoxazole

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL451894



ACToR 273-53-0
ChEBI 38814
eMolecules 534907
FDA SRS J233Y1I55I
IBM Patent System 857F7C31D21791A37DB41DCB0EF8B87F
MolPort MolPort-001-758-075
Nikkaji J55.474J
NMRShiftDB 10016269
PubChem 9228
PubChem: Thomson Pharma 15321264
SureChEMBL SCHEMBL7903
ZINC ZINC00404297

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