3-(4-chlorophenyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazole

C15H9ClF3N3O2 — CID 2746141

IUPAC3-(4-chlorophenyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazole
SMILESFC(F)(F)COc1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cn1
InChIInChI=1S/C15H9ClF3N3O2/c16-11-4-1-9(2-5-11)13-21-14(24-22-13)10-3-6-12(20-7-10)23-8-15(17,18)19/h1-7H,8H2
InChIKeyJZUXVSZJZSODGD-UHFFFAOYSA-N
MW355.70 g/mol
LogP4.39
Rot. Bonds4

About 3-(4-chlorophenyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazole

3-(4-chlorophenyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazole (PubChem CID 2746141) has the molecular formula C15H9ClF3N3O2 and a molecular weight of 355.70 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazole
PubChem CID2746141
Molecular FormulaC15H9ClF3N3O2
Molecular Weight355.70 g/mol
Exact Mass355.03
IUPAC Name3-(4-chlorophenyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazole
SMILESFC(F)(F)COc1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cn1
InChIInChI=1S/C15H9ClF3N3O2/c16-11-4-1-9(2-5-11)13-21-14(24-22-13)10-3-6-12(20-7-10)23-8-15(17,18)19/h1-7H,8H2
InChIKeyJZUXVSZJZSODGD-UHFFFAOYSA-N
XLogP4.39
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.70
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 11626664
CID 11626664
CID 9581056
CID 9581056
CID 666273
CID 666273
CID 666412
CID 666412
CID 845667
CID 845667
CID 1473390
CID 1473390
CID 2746683
CID 2746683
CID 87541460
CID 87541460
CID 16016194
CID 16016194
CID 2744488
CID 2744488
CID 56701353
CID 56701353
CID 146674383
CID 146674383

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(4-chlorophenyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazole (CID 2746141) is 3-(4-chlorophenyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazole is FC(F)(F)COc1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cn1.
What is the InChIKey of 3-(4-chlorophenyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is JZUXVSZJZSODGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF3N3O2/c16-11-4-1-9(2-5-11)13-21-14(24-22-13)10-3-6-12(20-7-10)23-8-15(17,18)19/h1-7H,8H2.
What are the key properties of 3-(4-chlorophenyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazole?
3-(4-chlorophenyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 355.70 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 2746141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).