Basic information
- Standard SMILES
OCc1cc(CCCCCOc2c(Cl)cc(C3=NCCO3)cc2Cl)on1- InChIKey
ZCPRWNJVTYPOMF-UHFFFAOYSA-N- Molecular formula
- C18H20Cl2N2O4
- Average molar mass
- 399.3 g/mol
- Monoisotopic mass
- 398.0800125
Names & identifiers
- Preferred name
- 5-{5-[2,6-Dichloro-4-(4,5-dihydro-2-oxazolyl)phenoxy]pentyl}-3-isoxazolemethanol
- IUPAC
- [5-[5-[2,6-dichloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]-1,2-oxazol-3-yl]methanol
Names & synonyms
SCHEMBL5098190ZCPRWNJVTYPOMF-UHFFFAOYSA-N3-(hydroxymethyl)-5-[5-[2,6-dichloro-4-(4,5-dihydro-2-oxazolyl)phenoxy]-pentyl]-isoxazole5-{5-[2,6-dichloro-4-(4,5-dihydro-2-oxazolyl)phenoxy]pentyl}-3-isoxazolemethanol5-{5-[2,6-dicloro-4-(4,5-dihydro-2-oxazolyl)phenoxy]pentyl}-3-isoxazolemethanol
Database identifiers
- PubChem CID
- 20064136
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 77.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 456
Related reactions
7 records
Compound notes
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