tert-Butyl 3-(4-(5-(5-chloro-6-isobutylpyridin-3-yl)-1,2,4-oxadiazol-3-yl)-3-methylphenyl)propanoate

HCID 68891768
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Basic information

Standard SMILES
Cc1cc(CCC(=O)OC(C)(C)C)ccc1-c1noc(-c2cnc(CC(C)C)c(Cl)c2)n1
InChIKey
XNMXADLODLASQE-UHFFFAOYSA-N
Molecular formula
C25H30ClN3O3
Average molar mass
456 g/mol
Monoisotopic mass
455.1975695

Names & identifiers

Preferred name
tert-Butyl 3-(4-(5-(5-chloro-6-isobutylpyridin-3-yl)-1,2,4-oxadiazol-3-yl)-3-methylphenyl)propanoate
IUPAC
tert-butyl 3-[4-[5-[5-chloro-6-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-methylphenyl]propanoate

Names & synonyms

SCHEMBL4047041XNMXADLODLASQE-UHFFFAOYSA-Ntert-Butyl 3-(4-(5-(5-chloro-6-isobutylpyridin-3-yl)-1,2,4-oxadiazol-3-yl)-3-methylphenyl)propanoate

Database identifiers

PubChem CID
68891768

Properties

Computed structural properties

XLogP
6.1
Topological polar surface area
78.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
9
Heavy atoms
32

Related reactions

2 records
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Compound notes

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