5-(3-chlorothiophen-2-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole

C11H13ClN4OS — CID 80641181

IUPAC5-(3-chlorothiophen-2-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
SMILESClc1ccsc1-c1nc(CN2CCNCC2)no1
InChIInChI=1S/C11H13ClN4OS/c12-8-1-6-18-10(8)11-14-9(15-17-11)7-16-4-2-13-3-5-16/h1,6,13H,2-5,7H2
InChIKeyYSEFPWPEVVCMKR-UHFFFAOYSA-N
MW284.77 g/mol
LogP1.86
Rot. Bonds3

About 5-(3-chlorothiophen-2-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole

5-(3-chlorothiophen-2-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole (PubChem CID 80641181) has the molecular formula C11H13ClN4OS and a molecular weight of 284.77 g/mol. Its IUPAC name is 5-(3-chlorothiophen-2-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-chlorothiophen-2-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
PubChem CID80641181
Molecular FormulaC11H13ClN4OS
Molecular Weight284.77 g/mol
Exact Mass284.05
IUPAC Name5-(3-chlorothiophen-2-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
SMILESClc1ccsc1-c1nc(CN2CCNCC2)no1
InChIInChI=1S/C11H13ClN4OS/c12-8-1-6-18-10(8)11-14-9(15-17-11)7-16-4-2-13-3-5-16/h1,6,13H,2-5,7H2
InChIKeyYSEFPWPEVVCMKR-UHFFFAOYSA-N
XLogP1.86
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.77
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorothiophen-2-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3-chlorothiophen-2-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole (CID 80641181) is 5-(3-chlorothiophen-2-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-chlorothiophen-2-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-chlorothiophen-2-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole is Clc1ccsc1-c1nc(CN2CCNCC2)no1.
What is the InChIKey of 5-(3-chlorothiophen-2-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is YSEFPWPEVVCMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4OS/c12-8-1-6-18-10(8)11-14-9(15-17-11)7-16-4-2-13-3-5-16/h1,6,13H,2-5,7H2.
What are the key properties of 5-(3-chlorothiophen-2-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
5-(3-chlorothiophen-2-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 284.77 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorothiophen-2-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 80641181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).