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

C14H8F3N3O — CID 1486742

IUPAC3-pyridin-4-yl-5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1ccccc1-c1nc(-c2ccncc2)no1
InChIInChI=1S/C14H8F3N3O/c15-14(16,17)11-4-2-1-3-10(11)13-19-12(20-21-13)9-5-7-18-8-6-9/h1-8H
InChIKeyPHNYBXHKSKPPFA-UHFFFAOYSA-N
MW291.23 g/mol
LogP3.82
Rot. Bonds2

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

3-pyridin-4-yl-5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 1486742) has the molecular formula C14H8F3N3O and a molecular weight of 291.23 g/mol. Its IUPAC name is 3-pyridin-4-yl-5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-pyridin-4-yl-5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
PubChem CID1486742
Molecular FormulaC14H8F3N3O
Molecular Weight291.23 g/mol
Exact Mass291.06
IUPAC Name3-pyridin-4-yl-5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1ccccc1-c1nc(-c2ccncc2)no1
InChIInChI=1S/C14H8F3N3O/c15-14(16,17)11-4-2-1-3-10(11)13-19-12(20-21-13)9-5-7-18-8-6-9/h1-8H
InChIKeyPHNYBXHKSKPPFA-UHFFFAOYSA-N
XLogP3.82
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-pyridin-4-yl-5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (CID 1486742) is 3-pyridin-4-yl-5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-pyridin-4-yl-5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-pyridin-4-yl-5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is FC(F)(F)c1ccccc1-c1nc(-c2ccncc2)no1.
What is the InChIKey of 3-pyridin-4-yl-5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is PHNYBXHKSKPPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N3O/c15-14(16,17)11-4-2-1-3-10(11)13-19-12(20-21-13)9-5-7-18-8-6-9/h1-8H.
What are the key properties of 3-pyridin-4-yl-5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
3-pyridin-4-yl-5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 291.23 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yl-5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 1486742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).