4-Chloro-6-(5-chloro-2-fluoro-phenyl)-3-methyl-isoxazolo[5,4-d]pyrimidine

HCID 21104342

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 773140-44-6
Standard SMILES: Cc1noc2nc(-c3cc(Cl)ccc3F)nc(Cl)c12
InChIKey: YWQMWIOSRUCGGK-UHFFFAOYSA-N
Molecular formula: C12H6Cl2FN3O
Average molar mass: 298.1 g/mol
Monoisotopic mass: 296.9871954

Names & identifiers

Preferred name: 4-Chloro-6-(5-chloro-2-fluoro-phenyl)-3-methyl-isoxazolo[5,4-d]pyrimidine
IUPAC: 4-chloro-6-(5-chloro-2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine

Names & synonyms

SCHEMBL2199417YWQMWIOSRUCGGK-UHFFFAOYSA-NDTXSID5011521524-Chloro-6-(5-chloro-2-fluoro-phenyl)-3-methyl-isoxazolo[5,4-d]pyrimidine773140-44-64-Chloro-6-(5-chloro-2-fluorophenyl)-3-methylisoxazolo[5,4-d]pyrimidine4-Chloro-6-(5-chloro-2-fluorophenyl)-3-methyl[1,2]oxazolo[5,4-d]pyrimidine

Database identifiers

CAS: 773140-44-6
PubChem CID: 21104342
DTXSID: DTXSID501152152

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 51.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 19
Formal charge: 0
Complexity: 338

Related reactions

4 records

New reaction record

HRID 173676As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 1010846As reactantuspto-grants-2011_07

HRID 1354313As reactantuspto-grants-2007_05

HRID 1553938As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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