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4-(4-Chlorophenyl)-2-(1-imidazolyl)-5-[3-(2-methylphenoxy)propyl]oxazole

HCID 18174742
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1ccccc1OCCCc1oc(-n2ccnc2)nc1-c1ccc(Cl)cc1
InChIKey
BJEOACOXFJXMKE-UHFFFAOYSA-N
Molecular formula
C22H20ClN3O2
Average molar mass
393.9 g/mol
Monoisotopic mass
393.1244046

Names & identifiers

Preferred name
4-(4-Chlorophenyl)-2-(1-imidazolyl)-5-[3-(2-methylphenoxy)propyl]oxazole
IUPAC
4-(4-chlorophenyl)-2-imidazol-1-yl-5-[3-(2-methylphenoxy)propyl]-1,3-oxazole

Names & synonyms

SCHEMBL1362824BJEOACOXFJXMKE-UHFFFAOYSA-N4(4-chlorophenyl)-2-(1-imidazolyl)-5-[3-(2-methylphenoxy)propyl]oxazole4-(4-chlorophenyl)-2-(1-imidazolyl)-5-[3-(2-methylphenoxy)propyl]oxazole

Database identifiers

PubChem CID
18174742

Properties

Computed structural properties

XLogP
5.4
Topological polar surface area
53.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
28
Formal charge
0
Complexity
475

Related reactions

4 records
New reaction record
HRID 110600 reaction equation
HRID 110600As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 395617 reaction equation
HRID 395617As productuspto-grants-2003_08
HRID 563071 reaction equation
HRID 563071As productuspto-grants-2011_11
HRID 747412 reaction equation
HRID 747412As productuspto-grants-2008_07

Compound notes

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