Basic information
- CAS
1314018-41-1- Standard SMILES
Cc1noc(C23CC2CCN(C(=O)OC(C)(C)C)C3)n1- InChIKey
ZQHZIWGLXAGTPT-UHFFFAOYSA-N- Molecular formula
- C14H21N3O3
- Average molar mass
- 279.33 g/mol
- Monoisotopic mass
- 279.15829154
Names & identifiers
- Preferred name
- 3-Azabicyclo[4.1.0]heptane-3-carboxylic acid, 1-(3-methyl-1,2,4-oxadiazol-5-yl)-, 1,1-dimethylethyl ester
- IUPAC
- tert-butyl 1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-azabicyclo[4.1.0]heptane-3-carboxylate
Names & synonyms
SCHEMBL12235406DTXSID5011109141314018-41-13-Azabicyclo[4.1.0]heptane-3-carboxylic acid, 1-(3-methyl-1,2,4-oxadiazol-5-yl)-, 1,1-dimethylethyl ester
Database identifiers
- CAS
1314018-41-1- PubChem CID
- 58487571
- DTXSID
DTXSID501110914
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 409
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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