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2-Methoxy-5-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-2,6-dimethylphenoxy]-propyl]-pyridine

HCID 19082043
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(CCCOc2c(C)cc(-c3noc(C)n3)cc2C)cn1
InChIKey
OOAHAODSBKRZLZ-UHFFFAOYSA-N
Molecular formula
C20H23N3O3
Average molar mass
353.4 g/mol

Names & identifiers

Preferred name
2-Methoxy-5-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-2,6-dimethylphenoxy]-propyl]-pyridine
IUPAC
3-[4-[3-(6-methoxy-3-pyridinyl)propoxy]-3,5-dimethylphenyl]-5-methyl-1,2,4-oxadiazole

Names & synonyms

SCHEMBL8924593OOAHAODSBKRZLZ-UHFFFAOYSA-N2-methoxy-5-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-2,6-dimethylphenoxy]-propyl]-pyridine

Database identifiers

PubChem CID
19082043

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
70.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
26
Formal charge
0
Complexity
413

Related reactions

2 records
New reaction record
HRID 53206 reaction equation
HRID 53206As productuspto-grants-1997_04
HRID 682685 reaction equation
HRID 682685As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes