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

C15H10F3N3O2 — CID 2744489

IUPAC5-methyl-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,2,4-oxadiazole
SMILESCc1nc(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)no1
InChIInChI=1S/C15H10F3N3O2/c1-9-20-14(21-23-9)10-2-5-12(6-3-10)22-13-7-4-11(8-19-13)15(16,17)18/h2-8H,1H3
InChIKeyRMGLBBFYMPDEQA-UHFFFAOYSA-N
MW321.26 g/mol
LogP4.25
Rot. Bonds3

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

5-methyl-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,2,4-oxadiazole (PubChem CID 2744489) has the molecular formula C15H10F3N3O2 and a molecular weight of 321.26 g/mol. Its IUPAC name is 5-methyl-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,2,4-oxadiazole
PubChem CID2744489
Molecular FormulaC15H10F3N3O2
Molecular Weight321.26 g/mol
Exact Mass321.07
IUPAC Name5-methyl-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,2,4-oxadiazole
SMILESCc1nc(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)no1
InChIInChI=1S/C15H10F3N3O2/c1-9-20-14(21-23-9)10-2-5-12(6-3-10)22-13-7-4-11(8-19-13)15(16,17)18/h2-8H,1H3
InChIKeyRMGLBBFYMPDEQA-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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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,2,4-oxadiazole (CID 2744489) is 5-methyl-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,2,4-oxadiazole is Cc1nc(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)no1.
What is the InChIKey of 5-methyl-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,2,4-oxadiazole?
The InChIKey is RMGLBBFYMPDEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O2/c1-9-20-14(21-23-9)10-2-5-12(6-3-10)22-13-7-4-11(8-19-13)15(16,17)18/h2-8H,1H3.
What are the key properties of 5-methyl-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,2,4-oxadiazole?
5-methyl-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,2,4-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 5-methyl-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 2744489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).