[2-[(4-Methoxyphenyl)methyl]-5,5-dimethyl-1,3,4-oxadiazol-2-yl] acetate
Basic information
- CAS
84319-51-7- Standard SMILES
COc1ccc(CC2(OC(C)=O)N=NC(C)(C)O2)cc1- InChIKey
KSBMLTGNOGAKFS-UHFFFAOYSA-N- Molecular formula
- C14H18N2O4
- Average molar mass
- 278.3 g/mol
- Monoisotopic mass
- 278.12665706
Names & identifiers
- Preferred name
- [2-[(4-Methoxyphenyl)methyl]-5,5-dimethyl-1,3,4-oxadiazol-2-yl] acetate
- IUPAC
- [2-[(4-methoxyphenyl)methyl]-5,5-dimethyl-1,3,4-oxadiazol-2-yl] acetate
Names & synonyms
84319-51-7NSC369742[2-[(4-methoxyphenyl)methyl]-5,5-dimethyl-1,3,4-oxadiazol-2-yl] acetateDTXSID70321077NSC-3697422-[(4-Methoxyphenyl)methyl]-5,5-dimethyl-2,5-dihydro-1,3,4-oxadiazol-2-yl acetate
Database identifiers
- CAS
84319-51-7- PubChem CID
- 340107
- DTXSID
DTXSID70321077
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 69.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 389
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…