5-(2-fluorophenyl)-3-[4-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole

C14H7F4N3O — CID 2726913

IUPAC5-(2-fluorophenyl)-3-[4-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole
SMILESFc1ccccc1-c1nc(-c2cnccc2C(F)(F)F)no1
InChIInChI=1S/C14H7F4N3O/c15-11-4-2-1-3-8(11)13-20-12(21-22-13)9-7-19-6-5-10(9)14(16,17)18/h1-7H
InChIKeyOOSIXBFRGGFKFZ-UHFFFAOYSA-N
MW309.22 g/mol
LogP3.96
Rot. Bonds2

About 5-(2-fluorophenyl)-3-[4-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole

5-(2-fluorophenyl)-3-[4-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole (PubChem CID 2726913) has the molecular formula C14H7F4N3O and a molecular weight of 309.22 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-3-[4-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-fluorophenyl)-3-[4-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole
PubChem CID2726913
Molecular FormulaC14H7F4N3O
Molecular Weight309.22 g/mol
Exact Mass309.05
IUPAC Name5-(2-fluorophenyl)-3-[4-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole
SMILESFc1ccccc1-c1nc(-c2cnccc2C(F)(F)F)no1
InChIInChI=1S/C14H7F4N3O/c15-11-4-2-1-3-8(11)13-20-12(21-22-13)9-7-19-6-5-10(9)14(16,17)18/h1-7H
InChIKeyOOSIXBFRGGFKFZ-UHFFFAOYSA-N
XLogP3.96
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.22
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-3-[4-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(2-fluorophenyl)-3-[4-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole (CID 2726913) is 5-(2-fluorophenyl)-3-[4-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-fluorophenyl)-3-[4-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-fluorophenyl)-3-[4-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole is Fc1ccccc1-c1nc(-c2cnccc2C(F)(F)F)no1.
What is the InChIKey of 5-(2-fluorophenyl)-3-[4-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is OOSIXBFRGGFKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F4N3O/c15-11-4-2-1-3-8(11)13-20-12(21-22-13)9-7-19-6-5-10(9)14(16,17)18/h1-7H.
What are the key properties of 5-(2-fluorophenyl)-3-[4-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole?
5-(2-fluorophenyl)-3-[4-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 309.22 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-3-[4-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 2726913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).