Basic information
- Standard SMILES
Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NC2CN(C(=O)OC(C)(C)C)C2)cn1- InChIKey
YTIFGMISGOJRBO-UHFFFAOYSA-N- Molecular formula
- C25H28N4O5
- Average molar mass
- 464.5 g/mol
Names & identifiers
- Preferred name
- 3-{[6-(5-Methyl-3-phenyl-isoxazol-4-ylmethoxy)-pyridine-3-carbonyl]-amino}-azetidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 3-[[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carbonyl]amino]azetidine-1-carboxylate
Names & synonyms
SCHEMBL2929212CHEMBL3681516YTIFGMISGOJRBO-UHFFFAOYSA-NBDBM133526US8846719, 2163-{[6-(5-Methyl-3-phenyl-isoxazol-4-ylmethoxy)-pyridine-3-carbonyl]-amino}-azetidine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 42629809
- ChEMBL
CHEMBL3681516
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 702
Related reactions
5 records
Compound notes
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