tert-butyl (3R)-6-cyclohexyl-3-[3-(1H-imidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanoate
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Basic information
- Standard SMILES
CC(C)(C)OC(=O)C[C@@H](CCCC1CCCCC1)c1nc(Cc2ncc[nH]2)no1- InChIKey
VHQFGKPGBJJUQN-QGZVFWFLSA-N- Molecular formula
- C22H34N4O3
- Average molar mass
- 402.5 g/mol
- Monoisotopic mass
- 402.26309096
Names & identifiers
- Preferred name
- tert-butyl (3R)-6-cyclohexyl-3-[3-(1H-imidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanoate
- IUPAC
- tert-butyl (3R)-6-cyclohexyl-3-[3-(1H-imidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanoate
Names & synonyms
VHQFGKPGBJJUQN-QGZVFWFLSA-Ntert-butyl (3R)-6cyclohexyl-3-[3-(1H-imidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanoatetert-butyl (3R)-6-cyclohexyl-3-[3-(1H-imidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanoate
Database identifiers
- PubChem CID
- 59909809
Properties
Computed structural propertiesFilling in
- XLogP
- 5.3
- Topological polar surface area
- 93.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 505
Related reactions
4 records
Compound notes
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