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tert-Butyl (3R)-6-cyclohexyl-3-{3-[(dimethylamino)carbonyl]-1,2,4-oxadiazol-5-yl}hexanoate

HCID 59909786
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CN(C)C(=O)c1noc([C@H](CCCC2CCCCC2)CC(=O)OC(C)(C)C)n1
InChIKey
QSXZZKUXYYNJKF-MRXNPFEDSA-N
Molecular formula
C21H35N3O4
Average molar mass
393.5 g/mol

Names & identifiers

Preferred name
tert-Butyl (3R)-6-cyclohexyl-3-{3-[(dimethylamino)carbonyl]-1,2,4-oxadiazol-5-yl}hexanoate
IUPAC
tert-butyl (3R)-6-cyclohexyl-3-[3-(dimethylcarbamoyl)-1,2,4-oxadiazol-5-yl]hexanoate

Names & synonyms

SCHEMBL27586672QSXZZKUXYYNJKF-MRXNPFEDSA-Ntert-Butyl (3R)-6-cyclohexyl-3-{3-[(dimethylamino)carbonyl]-1,2,4-oxadiazol-5-yl}hexanoate

Database identifiers

PubChem CID
59909786

Properties

Computed structural properties

XLogP
5
Topological polar surface area
85.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
10
Heavy atoms
28
Formal charge
0
Complexity
512

Related reactions

3 records
New reaction record
HRID 1279819 reaction equation
HRID 1279819As productuspto-grants-2002_09
HRID 1279820 reaction equation
HRID 1279820As reactantuspto-grants-2002_09
HRID 2182974 reaction equation
HRID 2182974As reactantuspto-grants-2005_05

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes