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

C15H11F3N4O2 — CID 59556754

IUPAC5-(3-methyl-4-pyridinyl)-3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazole
SMILESCc1cnccc1-c1nc(-c2ccc(OCC(F)(F)F)nc2)no1
InChIInChI=1S/C15H11F3N4O2/c1-9-6-19-5-4-11(9)14-21-13(22-24-14)10-2-3-12(20-7-10)23-8-15(16,17)18/h2-7H,8H2,1H3
InChIKeyFDPMLFLWAMCIPK-UHFFFAOYSA-N
MW336.27 g/mol
LogP3.44
Rot. Bonds4

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

5-(3-methyl-4-pyridinyl)-3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazole (PubChem CID 59556754) has the molecular formula C15H11F3N4O2 and a molecular weight of 336.27 g/mol. Its IUPAC name is 5-(3-methyl-4-pyridinyl)-3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-methyl-4-pyridinyl)-3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazole
PubChem CID59556754
Molecular FormulaC15H11F3N4O2
Molecular Weight336.27 g/mol
Exact Mass336.08
IUPAC Name5-(3-methyl-4-pyridinyl)-3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazole
SMILESCc1cnccc1-c1nc(-c2ccc(OCC(F)(F)F)nc2)no1
InChIInChI=1S/C15H11F3N4O2/c1-9-6-19-5-4-11(9)14-21-13(22-24-14)10-2-3-12(20-7-10)23-8-15(16,17)18/h2-7H,8H2,1H3
InChIKeyFDPMLFLWAMCIPK-UHFFFAOYSA-N
XLogP3.44
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-4-pyridinyl)-3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(3-methyl-4-pyridinyl)-3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazole (CID 59556754) is 5-(3-methyl-4-pyridinyl)-3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-methyl-4-pyridinyl)-3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-methyl-4-pyridinyl)-3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazole is Cc1cnccc1-c1nc(-c2ccc(OCC(F)(F)F)nc2)no1.
What is the InChIKey of 5-(3-methyl-4-pyridinyl)-3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is FDPMLFLWAMCIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O2/c1-9-6-19-5-4-11(9)14-21-13(22-24-14)10-2-3-12(20-7-10)23-8-15(16,17)18/h2-7H,8H2,1H3.
What are the key properties of 5-(3-methyl-4-pyridinyl)-3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazole?
5-(3-methyl-4-pyridinyl)-3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 336.27 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-4-pyridinyl)-3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 59556754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).