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N-[6-amino-5-(2,3,5-trichlorophenyl)pyrazin-2-yl]isoxazole-3-carboxamide

HCID 57799144
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Nc1nc(NC(=O)c2ccon2)cnc1-c1cc(Cl)cc(Cl)c1Cl
InChIKey
DHUGPGFZWZWQIG-UHFFFAOYSA-N
Molecular formula
C14H8Cl3N5O2
Average molar mass
384.6 g/mol

Names & identifiers

Preferred name
N-[6-amino-5-(2,3,5-trichlorophenyl)pyrazin-2-yl]isoxazole-3-carboxamide
IUPAC
N-[6-amino-5-(2,3,5-trichlorophenyl)pyrazin-2-yl]-1,2-oxazole-3-carboxamide

Names & synonyms

SCHEMBL2416289DHUGPGFZWZWQIG-UHFFFAOYSA-NN-[6-amino-5-(2,3,5-trichlorophenyl)pyrazin-2-yl]isoxazole-3-carboxamide

Database identifiers

PubChem CID
57799144

Properties

Computed structural propertiesFilling in

XLogP
2.9
Topological polar surface area
107 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
24
Formal charge
0
Complexity
460

Related reactions

2 records
New reaction record
HRID 701318 reaction equation
HRID 701318As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 2100345 reaction equation
HRID 2100345As productuspto-grants-2009_08

Compound notes

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