2-(5-Bromo-4-methyl-2-thienyl)-4-[4-[4-(1-imidazolyl)butyl]phenoxymethyl]oxazole

HCID 22009673
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Basic information

Standard SMILES
Cc1cc(-c2nc(COc3ccc(CCCCn4ccnc4)cc3)co2)sc1Br
InChIKey
ASJDMGQVWUQUJO-UHFFFAOYSA-N
Molecular formula
C22H22BrN3O2S
Average molar mass
472.4 g/mol
Monoisotopic mass
471.06161

Names & identifiers

Preferred name
2-(5-Bromo-4-methyl-2-thienyl)-4-[4-[4-(1-imidazolyl)butyl]phenoxymethyl]oxazole
IUPAC
2-(5-bromo-4-methylthiophen-2-yl)-4-[[4-(4-imidazol-1-ylbutyl)phenoxy]methyl]-1,3-oxazole

Names & synonyms

SCHEMBL5758793ASJDMGQVWUQUJO-UHFFFAOYSA-N2-(5-bromo-4-methyl-2-thienyl)-4-[4-[4-(1-imidazolyl)butyl]phenoxymethyl]oxazole

Database identifiers

PubChem CID
22009673

Properties

Computed structural properties

XLogP
5.3
Topological polar surface area
81.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
9
Heavy atoms
29

Related reactions

2 records
New reaction record

Compound notes

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