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

C15H11F6N5O — CID 155953508

IUPAC5-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,2,4-oxadiazole
SMILESCC(c1nc(Cc2ccc(C(F)(F)F)nc2)no1)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C15H11F6N5O/c1-8(26-5-4-11(24-26)15(19,20)21)13-23-12(25-27-13)6-9-2-3-10(22-7-9)14(16,17)18/h2-5,7-8H,6H2,1H3
InChIKeyILBDSBKBEWZOQJ-UHFFFAOYSA-N
MW391.28 g/mol
LogP3.90
Rot. Bonds4

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

5-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,2,4-oxadiazole (PubChem CID 155953508) has the molecular formula C15H11F6N5O and a molecular weight of 391.28 g/mol. Its IUPAC name is 5-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,2,4-oxadiazole
PubChem CID155953508
Molecular FormulaC15H11F6N5O
Molecular Weight391.28 g/mol
Exact Mass391.09
IUPAC Name5-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,2,4-oxadiazole
SMILESCC(c1nc(Cc2ccc(C(F)(F)F)nc2)no1)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C15H11F6N5O/c1-8(26-5-4-11(24-26)15(19,20)21)13-23-12(25-27-13)6-9-2-3-10(22-7-9)14(16,17)18/h2-5,7-8H,6H2,1H3
InChIKeyILBDSBKBEWZOQJ-UHFFFAOYSA-N
XLogP3.90
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.28
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,2,4-oxadiazole (CID 155953508) is 5-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,2,4-oxadiazole is CC(c1nc(Cc2ccc(C(F)(F)F)nc2)no1)n1ccc(C(F)(F)F)n1.
What is the InChIKey of 5-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,2,4-oxadiazole?
The InChIKey is ILBDSBKBEWZOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F6N5O/c1-8(26-5-4-11(24-26)15(19,20)21)13-23-12(25-27-13)6-9-2-3-10(22-7-9)14(16,17)18/h2-5,7-8H,6H2,1H3.
What are the key properties of 5-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,2,4-oxadiazole?
5-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,2,4-oxadiazole has a molecular weight of 391.28 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 155953508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).