Basic information
- Standard SMILES
Cc1nnc(C2CCCN(C(=O)OC3C4CC5CC3CC(O)(C5)C4)C2)o1- InChIKey
PTNJDBRUJNQVCL-UHFFFAOYSA-N- Molecular formula
- C19H27N3O4
- Average molar mass
- 361.4 g/mol
Names & identifiers
- Preferred name
- 1-Hydroxy-4-adamantyl 3-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate
- IUPAC
- (5-hydroxy-2-adamantyl) 3-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate
Names & synonyms
SCHEMBL6524475CHEMBL3937041PTNJDBRUJNQVCL-UHFFFAOYSA-NBDBM186107US9163012, 251-hydroxy-4-adamantyl 3-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 49835549
- ChEMBL
CHEMBL3937041
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 88.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 557
Related reactions
1 records
Compound notes
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