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

C15H10F3N3O2 — CID 18921384

IUPAC2-methyl-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole
SMILESCc1nnc(-c2cccc(Oc3cccc(C(F)(F)F)c3)n2)o1
InChIInChI=1S/C15H10F3N3O2/c1-9-20-21-14(22-9)12-6-3-7-13(19-12)23-11-5-2-4-10(8-11)15(16,17)18/h2-8H,1H3
InChIKeyZLBOHACEGUMXEG-UHFFFAOYSA-N
MW321.26 g/mol
LogP4.25
Rot. Bonds3

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

2-methyl-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole (PubChem CID 18921384) has the molecular formula C15H10F3N3O2 and a molecular weight of 321.26 g/mol. Its IUPAC name is 2-methyl-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole
PubChem CID18921384
Molecular FormulaC15H10F3N3O2
Molecular Weight321.26 g/mol
Exact Mass321.07
IUPAC Name2-methyl-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole
SMILESCc1nnc(-c2cccc(Oc3cccc(C(F)(F)F)c3)n2)o1
InChIInChI=1S/C15H10F3N3O2/c1-9-20-21-14(22-9)12-6-3-7-13(19-12)23-11-5-2-4-10(8-11)15(16,17)18/h2-8H,1H3
InChIKeyZLBOHACEGUMXEG-UHFFFAOYSA-N
XLogP4.25
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.26
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3-thiazole
CID 18921392
4,6-bis[3-(trifluoromethyl)phenoxy]pyrimidine
CID 11516885
2-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole
CID 169166506
2-(6-fluoro-2-pyridinyl)-5-methyl-1,3,4-oxadiazole
CID 130639641
4-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-2-amine
CID 14724234
6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid
CID 4271775
4-methylsulfanyl-2,6-bis[3-(trifluoromethyl)phenoxy]pyridine
CID 21471060
2-methoxy-6-[3-(trifluoromethyl)phenoxy]pyridin-3-amine
CID 43262396
2-phenoxy-6-[4-(trifluoromethyl)phenyl]pyridine
CID 102190448
6-[3-(trifluoromethyl)phenoxy]pyridazin-3-amine
CID 14294275
2-fluoro-5-[[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]phenol
CID 166636425
4-methyl-6-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenoxy]pyrimidine
CID 152556619

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole (CID 18921384) is 2-methyl-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole is Cc1nnc(-c2cccc(Oc3cccc(C(F)(F)F)c3)n2)o1.
What is the InChIKey of 2-methyl-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is ZLBOHACEGUMXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O2/c1-9-20-21-14(22-9)12-6-3-7-13(19-12)23-11-5-2-4-10(8-11)15(16,17)18/h2-8H,1H3.
What are the key properties of 2-methyl-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole?
2-methyl-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 321.26 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 18921384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).