5-[4-methyl-3-(trifluoromethyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole

C15H10F3N3O — CID 25110249

IUPAC5-[4-methyl-3-(trifluoromethyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESCc1ccc(-c2nc(-c3cccnc3)no2)cc1C(F)(F)F
InChIInChI=1S/C15H10F3N3O/c1-9-4-5-10(7-12(9)15(16,17)18)14-20-13(21-22-14)11-3-2-6-19-8-11/h2-8H,1H3
InChIKeyYZGIZSYTEQFKBH-UHFFFAOYSA-N
MW305.26 g/mol
LogP4.13
Rot. Bonds2

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

5-[4-methyl-3-(trifluoromethyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 25110249) has the molecular formula C15H10F3N3O and a molecular weight of 305.26 g/mol. Its IUPAC name is 5-[4-methyl-3-(trifluoromethyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-methyl-3-(trifluoromethyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID25110249
Molecular FormulaC15H10F3N3O
Molecular Weight305.26 g/mol
Exact Mass305.08
IUPAC Name5-[4-methyl-3-(trifluoromethyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESCc1ccc(-c2nc(-c3cccnc3)no2)cc1C(F)(F)F
InChIInChI=1S/C15H10F3N3O/c1-9-4-5-10(7-12(9)15(16,17)18)14-20-13(21-22-14)11-3-2-6-19-8-11/h2-8H,1H3
InChIKeyYZGIZSYTEQFKBH-UHFFFAOYSA-N
XLogP4.13
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-methyl-3-(trifluoromethyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[4-methyl-3-(trifluoromethyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole (CID 25110249) is 5-[4-methyl-3-(trifluoromethyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-methyl-3-(trifluoromethyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-methyl-3-(trifluoromethyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole is Cc1ccc(-c2nc(-c3cccnc3)no2)cc1C(F)(F)F.
What is the InChIKey of 5-[4-methyl-3-(trifluoromethyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is YZGIZSYTEQFKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O/c1-9-4-5-10(7-12(9)15(16,17)18)14-20-13(21-22-14)11-3-2-6-19-8-11/h2-8H,1H3.
What are the key properties of 5-[4-methyl-3-(trifluoromethyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
5-[4-methyl-3-(trifluoromethyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole has a molecular weight of 305.26 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-methyl-3-(trifluoromethyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 25110249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).