5-(4-methoxythiophen-2-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole

C13H18N4O2S — CID 81124292

IUPAC5-(4-methoxythiophen-2-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
SMILESCOc1csc(-c2nc(C(C)N3CCNCC3)no2)c1
InChIInChI=1S/C13H18N4O2S/c1-9(17-5-3-14-4-6-17)12-15-13(19-16-12)11-7-10(18-2)8-20-11/h7-9,14H,3-6H2,1-2H3
InChIKeyBBISZMQYDIBGIF-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.77
Rot. Bonds4

About 5-(4-methoxythiophen-2-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole

5-(4-methoxythiophen-2-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole (PubChem CID 81124292) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 5-(4-methoxythiophen-2-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-methoxythiophen-2-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
PubChem CID81124292
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name5-(4-methoxythiophen-2-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
SMILESCOc1csc(-c2nc(C(C)N3CCNCC3)no2)c1
InChIInChI=1S/C13H18N4O2S/c1-9(17-5-3-14-4-6-17)12-15-13(19-16-12)11-7-10(18-2)8-20-11/h7-9,14H,3-6H2,1-2H3
InChIKeyBBISZMQYDIBGIF-UHFFFAOYSA-N
XLogP1.77
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxythiophen-2-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4-methoxythiophen-2-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole (CID 81124292) is 5-(4-methoxythiophen-2-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-methoxythiophen-2-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-methoxythiophen-2-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole is COc1csc(-c2nc(C(C)N3CCNCC3)no2)c1.
What is the InChIKey of 5-(4-methoxythiophen-2-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole?
The InChIKey is BBISZMQYDIBGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-9(17-5-3-14-4-6-17)12-15-13(19-16-12)11-7-10(18-2)8-20-11/h7-9,14H,3-6H2,1-2H3.
What are the key properties of 5-(4-methoxythiophen-2-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole?
5-(4-methoxythiophen-2-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole has a molecular weight of 294.38 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxythiophen-2-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 81124292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).