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N-benzyl-2-(4-((3,5-dimethylisoxazol-4-yl)methoxy)-2-oxopyridin-1(2H)-yl)-4-methylthiazole-5-carboxamide

HCID 57744482
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
Cc1nc(-n2ccc(OCc3c(C)noc3C)cc2=O)sc1C(=O)NCc1ccccc1
InChIKey
IXZIAVSHNUXPMD-UHFFFAOYSA-N
Molecular formula
C23H22N4O4S
Average molar mass
450.5 g/mol

Names & identifiers

Preferred name
N-benzyl-2-(4-((3,5-dimethylisoxazol-4-yl)methoxy)-2-oxopyridin-1(2H)-yl)-4-methylthiazole-5-carboxamide
IUPAC
N-benzyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-2-oxo-1-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide

Names & synonyms

SCHEMBL3370319IXZIAVSHNUXPMD-UHFFFAOYSA-NN-benzyl-2-(4-((3,5-dimethylisoxazol-4-yl)methoxy)-2-oxopyridin-1(2H)-yl)-4-methylthiazole-5-carboxamide

Database identifiers

PubChem CID
57744482

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
126 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
32
Formal charge
0
Complexity
754

Related reactions

2 records
New reaction record
HRID 158729 reaction equation
HRID 158729As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 1887348 reaction equation
HRID 1887348As productuspto-grants-2013_08

Compound notes

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