Basic information
- Standard SMILES
COCc1cc(CCCCCOc2c(Cl)cc(C3=NCCO3)cc2Cl)on1- InChIKey
KMHIBZFBRRTCLZ-UHFFFAOYSA-N- Molecular formula
- C19H22Cl2N2O4
- Average molar mass
- 413.3 g/mol
Names & identifiers
- Preferred name
- 5-{5-[2,6-Dichloro-4-(4,5-dihydro-2-oxazolyl)phenoxy]pentyl}-3-(methoxymethyl)isoxazole
- IUPAC
- 5-[5-[2,6-dichloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]-3-(methoxymethyl)-1,2-oxazole
Names & synonyms
SCHEMBL9705683KMHIBZFBRRTCLZ-UHFFFAOYSA-N5-{-5-[2,6-Dichloro-4-(4,5-dihydro-2-oxazolyl)phenoxy]pentyl}-3-(methoxymethyl)isoxazole5-{5-[2,6-Dichloro-4-(4,5-dihydro-2-oxazolyl)phenoxy]pentyl}-3-(methoxymethyl)isoxazole5-{5-[2,6-Dichloro-4-(4,5-dihydro-2-oxazolyl)phenoxy]pentyl}-3-(methyoxymethyl)isoxazole
Database identifiers
- PubChem CID
- 20064100
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 471
Related reactions
3 records
Compound notes
Loading…