3-(2,6-Dichlorophenyl)-N,N,5-trimethylisoxazole-4-carboxamide

HCID 2804260

Notes Reactions

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Basic information

Standard SMILES: Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N(C)C
InChIKey: KNZOFNZQCGPOCC-UHFFFAOYSA-N
Molecular formula: C13H12Cl2N2O2
Average molar mass: 299.15 g/mol

Names & identifiers

Preferred name: 3-(2,6-Dichlorophenyl)-N,N,5-trimethylisoxazole-4-carboxamide
IUPAC: 3-(2,6-dichlorophenyl)-N,N,5-trimethyl-1,2-oxazole-4-carboxamide

Names & synonyms

Maybridge4_000606SCHEMBL3554810CHEMBL5484062KNZOFNZQCGPOCC-UHFFFAOYSA-NHMS1522L12AKOS034831169IDI1_031188NCGC00177396-01BRD-K00077603-001-01-2Z3327511623-(2,6-Dichlorophenyl)-N,N,5-trimethylisoxazole-4-carboxamide

Database identifiers

PubChem CID: 2804260
ChEMBL: CHEMBL5484062

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 46.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 19
Formal charge: 0
Complexity: 331

Related reactions

2 records

New reaction record

HRID 193018As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 1446155As productuspto-grants-2010_02

Compound notes

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