2-ethyl-5-(1-pyridin-4-ylsulfanylethyl)-1,3,4-oxadiazole

C11H13N3OS — CID 71858556

IUPAC2-ethyl-5-(1-pyridin-4-ylsulfanylethyl)-1,3,4-oxadiazole
SMILESCCc1nnc(C(C)Sc2ccncc2)o1
InChIInChI=1S/C11H13N3OS/c1-3-10-13-14-11(15-10)8(2)16-9-4-6-12-7-5-9/h4-8H,3H2,1-2H3
InChIKeyHALTUNNXCZPQLF-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.88
Rot. Bonds4

About 2-ethyl-5-(1-pyridin-4-ylsulfanylethyl)-1,3,4-oxadiazole

2-ethyl-5-(1-pyridin-4-ylsulfanylethyl)-1,3,4-oxadiazole (PubChem CID 71858556) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 2-ethyl-5-(1-pyridin-4-ylsulfanylethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-ethyl-5-(1-pyridin-4-ylsulfanylethyl)-1,3,4-oxadiazole
PubChem CID71858556
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name2-ethyl-5-(1-pyridin-4-ylsulfanylethyl)-1,3,4-oxadiazole
SMILESCCc1nnc(C(C)Sc2ccncc2)o1
InChIInChI=1S/C11H13N3OS/c1-3-10-13-14-11(15-10)8(2)16-9-4-6-12-7-5-9/h4-8H,3H2,1-2H3
InChIKeyHALTUNNXCZPQLF-UHFFFAOYSA-N
XLogP2.88
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(1-pyridin-4-ylsulfanylethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-ethyl-5-(1-pyridin-4-ylsulfanylethyl)-1,3,4-oxadiazole (CID 71858556) is 2-ethyl-5-(1-pyridin-4-ylsulfanylethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-ethyl-5-(1-pyridin-4-ylsulfanylethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-ethyl-5-(1-pyridin-4-ylsulfanylethyl)-1,3,4-oxadiazole is CCc1nnc(C(C)Sc2ccncc2)o1.
What is the InChIKey of 2-ethyl-5-(1-pyridin-4-ylsulfanylethyl)-1,3,4-oxadiazole?
The InChIKey is HALTUNNXCZPQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-3-10-13-14-11(15-10)8(2)16-9-4-6-12-7-5-9/h4-8H,3H2,1-2H3.
What are the key properties of 2-ethyl-5-(1-pyridin-4-ylsulfanylethyl)-1,3,4-oxadiazole?
2-ethyl-5-(1-pyridin-4-ylsulfanylethyl)-1,3,4-oxadiazole has a molecular weight of 235.31 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(1-pyridin-4-ylsulfanylethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 71858556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).