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Basic information
- Standard SMILES
CCOC(=O)C1CC(NCc2ccc(-c3noc(-c4ccc(C)cc4)n3)cc2)C1- InChIKey
KKNSSXFHFLIPCH-UHFFFAOYSA-N- Molecular formula
- C23H25N3O3
- Average molar mass
- 391.5 g/mol
- Monoisotopic mass
- 391.18959167
Names & identifiers
- Preferred name
- 3-[4-(5-p-Tolyl-[1,2,4]oxadiazol-3-yl)-benzylamino]-cis-cyclobutanecarboxylic acid ethyl ester
- IUPAC
- ethyl 3-[[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclobutane-1-carboxylate
Names & synonyms
SCHEMBL3456505SCHEMBL3456509KKNSSXFHFLIPCH-BGYRXZFFSA-N3-[4-(5-p-Tolyl-[1,2,4]oxadiazol-3-yl)-benzylamino]-cis-cyclobutanecarboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 59012016
Properties
Computed structural propertiesFilling in
- XLogP
- 4
- Topological polar surface area
- 77.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 523
Related reactions
1 records
Compound notes
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