Basic information
- CAS
606947-66-4- Standard SMILES
N#Cc1nc(COc2ccc(Br)cc2)oc1N1CCC(Cc2ccccc2)CC1- InChIKey
ORLMRZGNAFXDHH-UHFFFAOYSA-N- Molecular formula
- C23H22BrN3O2
- Average molar mass
- 452.3 g/mol
- Monoisotopic mass
- 451.08954
Names & identifiers
- Preferred name
- 5-(4-Benzylpiperidin-1-yl)-2-[(4-bromophenoxy)methyl]-1,3-oxazole-4-carbonitrile
- IUPAC
- 5-(4-benzylpiperidin-1-yl)-2-[(4-bromophenoxy)methyl]-1,3-oxazole-4-carbonitrile
- English name
- 5-(4-benzyl-1-piperidinyl)-2-[(4-bromophenoxy)methyl]-1,3-oxazole-4-carbonitrile
- Molecular formula
- C23H22BrN3O2
- Molecular weight
- 452.34368
Names & synonyms
5-(4-benzylpiperidin-1-yl)-2-[(4-bromophenoxy)methyl]-1,3-oxazole-4-carbonitrileSTK875861AKOS001686199AF-399/416690275-(4-benzyl-1-piperidinyl)-2-[(4-bromophenoxy)methyl]-1,3-oxazole-4-carbonitrile
Database identifiers
- CAS
606947-66-4- PubChem CID
- 4162644
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 62.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 546
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…