6-Benzo[1,3]dioxol-5-yl-3-(2-chloro-phenyl)-5-methyl-5H-isoxazolo[4,5-c]pyridin-4-one

HCID 22015573
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Basic information

Standard SMILES
Cn1c(-c2ccc3c(c2)OCO3)cc2onc(-c3ccccc3Cl)c2c1=O
InChIKey
LUTLTCWBCIRAHM-UHFFFAOYSA-N
Molecular formula
C20H13ClN2O4
Average molar mass
380.8 g/mol

Names & identifiers

Preferred name
6-Benzo[1,3]dioxol-5-yl-3-(2-chloro-phenyl)-5-methyl-5H-isoxazolo[4,5-c]pyridin-4-one
IUPAC
6-(1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)-5-methyl-[1,2]oxazolo[4,5-c]pyridin-4-one

Names & synonyms

SCHEMBL5531589LUTLTCWBCIRAHM-UHFFFAOYSA-N6-Benzo[1,3]dioxol-5-yl-3-(2-chloro-phenyl)-5-methyl-5H-isoxazolo[4,5-c]pyridin-4-one

Database identifiers

PubChem CID
22015573

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
64.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
27

Related reactions

1 records
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Compound notes

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