3-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole

C15H6ClF6N3O2 — CID 4658635

IUPAC3-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)c1cnc(Oc2ccc(-c3noc(C(F)(F)F)n3)cc2)c(Cl)c1
InChIInChI=1S/C15H6ClF6N3O2/c16-10-5-8(14(17,18)19)6-23-12(10)26-9-3-1-7(2-4-9)11-24-13(27-25-11)15(20,21)22/h1-6H
InChIKeyFWWWPCNJXLMFQA-UHFFFAOYSA-N
MW409.67 g/mol
LogP5.61
Rot. Bonds3

About 3-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole

3-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole (PubChem CID 4658635) has the molecular formula C15H6ClF6N3O2 and a molecular weight of 409.67 g/mol. Its IUPAC name is 3-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
PubChem CID4658635
Molecular FormulaC15H6ClF6N3O2
Molecular Weight409.67 g/mol
Exact Mass409.01
IUPAC Name3-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)c1cnc(Oc2ccc(-c3noc(C(F)(F)F)n3)cc2)c(Cl)c1
InChIInChI=1S/C15H6ClF6N3O2/c16-10-5-8(14(17,18)19)6-23-12(10)26-9-3-1-7(2-4-9)11-24-13(27-25-11)15(20,21)22/h1-6H
InChIKeyFWWWPCNJXLMFQA-UHFFFAOYSA-N
XLogP5.61
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.67
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole with MolForge

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Related Compounds

3-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-5-[(1-methylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazole
CID 138046396
3-chloro-2-(4-propan-2-yloxyphenoxy)-5-(trifluoromethyl)pyridine
CID 56627403
[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] carbonochloridate
CID 22047691
(E)-1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-N-methoxymethanimine
CID 43811221
4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]sulfanylphenol
CID 139697363
2-chloro-5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 176902739
2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetamide
CID 173117551
3-chloro-5-(1,1-difluoroethyl)-2-(4-methylphenoxy)pyridine;propane
CID 143551154
[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] propaneperoxoate
CID 22070374
3-[4-[2-[3-chloro-4-(trifluoromethyl)phenoxy]ethyl]-3-fluorophenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 155193222
5-(3-fluoro-2,3-dimethylbutan-2-yl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 15526324
(E)-3-(4-chlorophenyl)-1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]prop-2-en-1-one
CID 6066661

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole (CID 4658635) is 3-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole is FC(F)(F)c1cnc(Oc2ccc(-c3noc(C(F)(F)F)n3)cc2)c(Cl)c1.
What is the InChIKey of 3-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The InChIKey is FWWWPCNJXLMFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6ClF6N3O2/c16-10-5-8(14(17,18)19)6-23-12(10)26-9-3-1-7(2-4-9)11-24-13(27-25-11)15(20,21)22/h1-6H.
What are the key properties of 3-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
3-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole has a molecular weight of 409.67 g/mol, XLogP of 5.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 4658635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).