Basic information
- Standard SMILES
CCCc1c(-c2nc(-c3ccc(C(O)CN4CC(C(=O)OC(C)(C)C)C4)cc3)no2)noc1-c1ccccc1- InChIKey
AUTFYWICJBTIAB-UHFFFAOYSA-N- Molecular formula
- C30H34N4O5
- Average molar mass
- 530.6 g/mol
- Monoisotopic mass
- 530.2529202
Names & identifiers
- Preferred name
- tert-Butyl 1-(2-hydroxy-2-(4-(5-(5-phenyl-4-propylisoxazol-3-yl)-1,2,4-oxadiazol-3-yl)phenyl)ethyl)azetidine-3-carboxylate
- IUPAC
- tert-butyl 1-[2-hydroxy-2-[4-[5-(5-phenyl-4-propyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]azetidine-3-carboxylate
Names & synonyms
SCHEMBL2298100AUTFYWICJBTIAB-UHFFFAOYSA-Ntert-Butyl 1-(2-hydroxy-2-(4-(5-(5-phenyl-4-propylisoxazol-3-yl)-1,2,4-oxadiazol-3-yl)phenyl)ethyl)azetidine-3-carboxylate
Database identifiers
- PubChem CID
- 58374129
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 789
Related reactions
4 records
Compound notes
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