Basic information
- Standard SMILES
Cc1cc(CCCCCOc2c(Cl)cc(C3=NCCC3)cc2Cl)on1- InChIKey
IGSHFVLIKAUYLO-UHFFFAOYSA-N- Molecular formula
- C19H22Cl2N2O2
- Average molar mass
- 381.3 g/mol
- Monoisotopic mass
- 380.1058333
Names & identifiers
- Preferred name
- 5-{5-[2,6-dichloro-4-(4,5-dihydro-3H-pyrrol-2-yl)phenoxy]pentyl}-3-methylisoxazole
- IUPAC
- 5-[5-[2,6-dichloro-4-(3,4-dihydro-2H-pyrrol-5-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole
Names & synonyms
CHEMBL342127SCHEMBL10506603IGSHFVLIKAUYLO-UHFFFAOYSA-N5-[5-[2,6-dichloro-4-(3,4-dihydro-2H-pyrrol-5-yl)phenoxy]pentyl]-3-methyl-isoxazole5-{5-[2,6-dichloro-4-(4,5-dihydro-3H-pyrrol-2-yl)phenoxy]pentyl}-3-methylisoxazoleIsoxazole, 5-[5-[2,6-dichloro-4-(3,4-dihydro-2H-pyrrol-5-yl)phenoxy]pentyl]-3-methyl-
Database identifiers
- PubChem CID
- 515436
- ChEMBL
CHEMBL342127- Nikkaji
- J522.508F
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 437
Related reactions
2 records
Compound notes
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