5-{5-[2,6-Dichloro-4-(4,5-dihydro-2-oxazolyl)phenoxy]pentyl}-3-isoxazolemethanol

HCID 20064136

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

Related reactions

7 records

Compound notes

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