(S)-5-(3-[4-(2,2-Dimethyl-[1,3]dioxolan-4-ylmethoxy)-3-ethyl-5-methyl-phenyl]-[1,2,4]oxadiazol-5-yl}-3-ethyl-thiophene-2-carbaldehyde

HCID 86646449
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Basic information

Standard SMILES
CCc1cc(-c2nc(-c3cc(C)c(OC[C@H]4COC(C)(C)O4)c(CC)c3)no2)sc1C=O
InChIKey
UCGTXAJHPLSURM-SFHVURJKSA-N
Molecular formula
C24H28N2O5S
Average molar mass
456.6 g/mol

Names & identifiers

Preferred name
(S)-5-(3-[4-(2,2-Dimethyl-[1,3]dioxolan-4-ylmethoxy)-3-ethyl-5-methyl-phenyl]-[1,2,4]oxadiazol-5-yl}-3-ethyl-thiophene-2-carbaldehyde
IUPAC
5-[3-[4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-ethyl-5-methylphenyl]-1,2,4-oxadiazol-5-yl]-3-ethylthiophene-2-carbaldehyde

Names & synonyms

SCHEMBL2064876UCGTXAJHPLSURM-SFHVURJKSA-N(S)-5-(3-[4-(2,2-Dimethyl-[1,3]dioxolan-4-ylmethoxy)-3-ethyl-5-methyl-phenyl]-[1,2,4]oxadiazol-5-yl}-3-ethyl-thiophene-2-carbaldehyde

Database identifiers

PubChem CID
86646449

Properties

Computed structural properties

XLogP
5.2
Topological polar surface area
112 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
8
Heavy atoms
32

Related reactions

1 records
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Linked notes

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