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

C11H10F3N3OS — CID 47135006

IUPAC2-ethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3,4-oxadiazole
SMILESCCc1nnc(CSc2ccc(C(F)(F)F)cn2)o1
InChIInChI=1S/C11H10F3N3OS/c1-2-8-16-17-9(18-8)6-19-10-4-3-7(5-15-10)11(12,13)14/h3-5H,2,6H2,1H3
InChIKeyADKXUHWBQIZIDJ-UHFFFAOYSA-N
MW289.28 g/mol
LogP3.34
Rot. Bonds4

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

2-ethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3,4-oxadiazole (PubChem CID 47135006) has the molecular formula C11H10F3N3OS and a molecular weight of 289.28 g/mol. Its IUPAC name is 2-ethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-ethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3,4-oxadiazole
PubChem CID47135006
Molecular FormulaC11H10F3N3OS
Molecular Weight289.28 g/mol
Exact Mass289.05
IUPAC Name2-ethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3,4-oxadiazole
SMILESCCc1nnc(CSc2ccc(C(F)(F)F)cn2)o1
InChIInChI=1S/C11H10F3N3OS/c1-2-8-16-17-9(18-8)6-19-10-4-3-7(5-15-10)11(12,13)14/h3-5H,2,6H2,1H3
InChIKeyADKXUHWBQIZIDJ-UHFFFAOYSA-N
XLogP3.34
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-ethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3,4-oxadiazole (CID 47135006) is 2-ethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-ethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-ethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3,4-oxadiazole is CCc1nnc(CSc2ccc(C(F)(F)F)cn2)o1.
What is the InChIKey of 2-ethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3,4-oxadiazole?
The InChIKey is ADKXUHWBQIZIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3OS/c1-2-8-16-17-9(18-8)6-19-10-4-3-7(5-15-10)11(12,13)14/h3-5H,2,6H2,1H3.
What are the key properties of 2-ethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3,4-oxadiazole?
2-ethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3,4-oxadiazole has a molecular weight of 289.28 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 47135006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).