3-(4-Chloro-phenyl)-5-[2-(4-methoxy-phenyl)-2H-pyrazol-3-yl]-benzo[c]isoxazole

HCID 73053291
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Basic information

Standard SMILES
COc1ccc(-n2nccc2-c2ccc3noc(-c4ccc(Cl)cc4)c3c2)cc1
InChIKey
ZMAMFOSHJHWOFQ-UHFFFAOYSA-N
Molecular formula
C23H16ClN3O2
Average molar mass
401.8 g/mol

Names & identifiers

Preferred name
3-(4-Chloro-phenyl)-5-[2-(4-methoxy-phenyl)-2H-pyrazol-3-yl]-benzo[c]isoxazole
IUPAC
3-(4-chlorophenyl)-5-[2-(4-methoxyphenyl)pyrazol-3-yl]-2,1-benzoxazole

Names & synonyms

SCHEMBL15556997ZMAMFOSHJHWOFQ-UHFFFAOYSA-N3-(4-Chloro-phenyl)-5-[2-(4-methoxy-phenyl)-2H-pyrazol-3-yl]-benzo[c]isoxazole

Database identifiers

PubChem CID
73053291

Properties

Computed structural properties

XLogP
5.6
Topological polar surface area
53.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
29

Related reactions

1 records
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Compound notes

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