Basic information
- Standard SMILES
COc1ccc(-c2nnc(C(=O)N3CC(Oc4ccc(CN5CCCC(O)CC5)cc4)C3)o2)cc1- InChIKey
RBUOLASRIGNBFC-UHFFFAOYSA-N- Molecular formula
- C26H30N4O5
- Average molar mass
- 478.5 g/mol
Names & identifiers
- Preferred name
- (3-(4-((4-Hydroxyazepan-1-yl)methyl)phenoxy)azetidin-1-yl)(5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)methanone
- IUPAC
- [3-[4-[(4-hydroxyazepan-1-yl)methyl]phenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone
Names & synonyms
SCHEMBL321452RBUOLASRIGNBFC-UHFFFAOYSA-N(3-(4-((4-hydroxyazepan-1-yl)methyl)phenoxy)azetidin-1-yl)(5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)methanone
Database identifiers
- PubChem CID
- 56599061
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 677
Related reactions
2 records
Compound notes
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