1-[3-(Phenylmethyl)-1,2,4-oxadiazol-5-yl]ethyl 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate
Basic information
- CAS
69768-57-6- Standard SMILES
CC(C)=CC1C(C(=O)OC(C)c2nc(Cc3ccccc3)no2)C1(C)C- InChIKey
OIUFLVLQRRCRLW-UHFFFAOYSA-N- Molecular formula
- C21H26N2O3
- Average molar mass
- 354.4 g/mol
- Monoisotopic mass
- 354.1943427
Names & identifiers
- Preferred name
- 1-[3-(Phenylmethyl)-1,2,4-oxadiazol-5-yl]ethyl 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate
- IUPAC
- 1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
Names & synonyms
DTXSID6011089581-[3-(Phenylmethyl)-1,2,4-oxadiazol-5-yl]ethyl 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate69768-57-6
Database identifiers
- CAS
69768-57-6- PubChem CID
- 165367459
- DTXSID
DTXSID601108958
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 65.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 535
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…