3-[(4-Chloro-3,5-dimethylphenoxy)methyl]-5-[[5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-1,2,4-oxadiazole
Basic information
- CAS
4784-96-7- Standard SMILES
Cc1cc(OCc2noc(CSc3ccc(C(F)(F)F)cn3)n2)cc(C)c1Cl- InChIKey
DWKGVWDTPVIBCZ-UHFFFAOYSA-N- Molecular formula
- C18H15ClF3N3O2S
- Average molar mass
- 429.8 g/mol
- Monoisotopic mass
- 429.0525601
Names & identifiers
- Preferred name
- 3-[(4-Chloro-3,5-dimethylphenoxy)methyl]-5-[[5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-1,2,4-oxadiazole
- IUPAC
- 3-[(4-chloro-3,5-dimethylphenoxy)methyl]-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,2,4-oxadiazole
Names & synonyms
Maybridge4_0045544784-96-73-[(4-chloro-3,5-dimethylphenoxy)methyl]-5-[[5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-1,2,4-oxadiazoleDTXSID60372533HMS1533O22BRD-K21487656-001-01-42-[({3-[(4-Chloro-3,5-dimethylphenoxy)methyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]-5-(trifluoromethyl)pyridine
Database identifiers
- CAS
4784-96-7- PubChem CID
- 2744481
- DTXSID
DTXSID60372533
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 86.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 493
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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