AD-5061

HCID 9953271

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC2SC(=O)NC2=O)cc1
InChIKey: GUTCYOKMCPFRGH-UHFFFAOYSA-N
Molecular formula: C22H20N2O4S
Average molar mass: 408.5 g/mol

Names & identifiers

Preferred name: AD-5061
IUPAC: 5-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

Names & synonyms

AD-50615-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dioneAD5061AD7057AD 5061AD 7057AD-70575-({4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione5-((4-(2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy)phenyl)methyl)-1,3-thiazolidine-2,4-dioneRefChem:109630BM-131246103787-97-9

Show more names

SCHEMBL170065GTPL2663orb1710242GUTCYOKMCPFRGH-UHFFFAOYSA-NDEA78797EX-A14876AKOS040732615CS-6704

Database identifiers

PubChem CID: 9953271
ChEMBL: CHEMBL59132
Nikkaji: J494.412G

Properties

Computed structural properties

XLogP: 4.5
Topological polar surface area: 107 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 7
Heavy atoms: 29
Formal charge: 0
Complexity: 575

Related reactions

6 records

New reaction record

HRID 4388As productuspto-grants-1988_02

HRID 4390As reactantuspto-grants-1988_02

HRID 4396As productuspto-grants-1988_02

HRID 1115401As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1233848As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1554438As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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