5-ethyl-3-[1-(2-thiophen-2-ylethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole

C14H19N3OS — CID 71934629

IUPAC5-ethyl-3-[1-(2-thiophen-2-ylethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESCCc1nc(C2CCCN2CCc2cccs2)no1
InChIInChI=1S/C14H19N3OS/c1-2-13-15-14(16-18-13)12-6-3-8-17(12)9-7-11-5-4-10-19-11/h4-5,10,12H,2-3,6-9H2,1H3
InChIKeyQSAGTBDGFNKLFA-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.07
Rot. Bonds5

About 5-ethyl-3-[1-(2-thiophen-2-ylethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole

5-ethyl-3-[1-(2-thiophen-2-ylethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole (PubChem CID 71934629) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 5-ethyl-3-[1-(2-thiophen-2-ylethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-ethyl-3-[1-(2-thiophen-2-ylethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
PubChem CID71934629
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name5-ethyl-3-[1-(2-thiophen-2-ylethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESCCc1nc(C2CCCN2CCc2cccs2)no1
InChIInChI=1S/C14H19N3OS/c1-2-13-15-14(16-18-13)12-6-3-8-17(12)9-7-11-5-4-10-19-11/h4-5,10,12H,2-3,6-9H2,1H3
InChIKeyQSAGTBDGFNKLFA-UHFFFAOYSA-N
XLogP3.07
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[1-(2-thiophen-2-ylethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-ethyl-3-[1-(2-thiophen-2-ylethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole (CID 71934629) is 5-ethyl-3-[1-(2-thiophen-2-ylethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-ethyl-3-[1-(2-thiophen-2-ylethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-ethyl-3-[1-(2-thiophen-2-ylethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole is CCc1nc(C2CCCN2CCc2cccs2)no1.
What is the InChIKey of 5-ethyl-3-[1-(2-thiophen-2-ylethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole?
The InChIKey is QSAGTBDGFNKLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-2-13-15-14(16-18-13)12-6-3-8-17(12)9-7-11-5-4-10-19-11/h4-5,10,12H,2-3,6-9H2,1H3.
What are the key properties of 5-ethyl-3-[1-(2-thiophen-2-ylethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole?
5-ethyl-3-[1-(2-thiophen-2-ylethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole has a molecular weight of 277.39 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[1-(2-thiophen-2-ylethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 71934629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).