1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-5-furan-2-yl-1H-pyrazole-3-carboxylic acid

HCID 23033481

Basic information

Standard SMILES
O=C(O)c1cc(-c2ccco2)n(Cc2cc(-c3ccc(Cl)s3)on2)n1
InChIKey
RRACFGKIZHEVEL-UHFFFAOYSA-N
Molecular formula
C16H10ClN3O4S
Average molar mass
375.8 g/mol

Names & identifiers

Preferred name
1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-5-furan-2-yl-1H-pyrazole-3-carboxylic acid
IUPAC
1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-(furan-2-yl)pyrazole-3-carboxylic acid

Names & synonyms

SCHEMBL1456629RRACFGKIZHEVEL-UHFFFAOYSA-N1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-5-furan-2-yl-1H -pyrazole-3-carboxylic acid1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-5-furan-2-yl-1H-pyrazole-3-carboxylic acid

Database identifiers

PubChem CID
23033481

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
123 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
25

Related reactions

6 records

Linked notes

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