5-(3-Chlorophenyl)-3-(pyridin-3-yl)isoxazole

HCID 44546282
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Basic information

Standard SMILES
Clc1cccc(-c2cc(-c3cccnc3)no2)c1
InChIKey
VTSOJXGMHRTPLO-UHFFFAOYSA-N
Molecular formula
C14H9ClN2O
Average molar mass
256.68 g/mol
Monoisotopic mass
256.0403406

Names & identifiers

Preferred name
5-(3-Chlorophenyl)-3-(pyridin-3-yl)isoxazole
IUPAC
5-(3-chlorophenyl)-3-pyridin-3-yl-1,2-oxazole

Names & synonyms

SCHEMBL4324167VTSOJXGMHRTPLO-UHFFFAOYSA-N5-(3-Chlorophenyl)-3-(pyridin-3-yl)isoxazole

Database identifiers

PubChem CID
44546282

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
38.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
18

Related reactions

1 records
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Compound notes

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