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

C12H15BrN4OS — CID 63796485

IUPAC5-(3-bromothiophen-2-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
SMILESCC(c1noc(-c2sccc2Br)n1)N1CCNCC1
InChIInChI=1S/C12H15BrN4OS/c1-8(17-5-3-14-4-6-17)11-15-12(18-16-11)10-9(13)2-7-19-10/h2,7-8,14H,3-6H2,1H3
InChIKeyWRCUUIIBEQOPKH-UHFFFAOYSA-N
MW343.25 g/mol
LogP2.53
Rot. Bonds3

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

5-(3-bromothiophen-2-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole (PubChem CID 63796485) has the molecular formula C12H15BrN4OS and a molecular weight of 343.25 g/mol. Its IUPAC name is 5-(3-bromothiophen-2-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-bromothiophen-2-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
PubChem CID63796485
Molecular FormulaC12H15BrN4OS
Molecular Weight343.25 g/mol
Exact Mass342.01
IUPAC Name5-(3-bromothiophen-2-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
SMILESCC(c1noc(-c2sccc2Br)n1)N1CCNCC1
InChIInChI=1S/C12H15BrN4OS/c1-8(17-5-3-14-4-6-17)11-15-12(18-16-11)10-9(13)2-7-19-10/h2,7-8,14H,3-6H2,1H3
InChIKeyWRCUUIIBEQOPKH-UHFFFAOYSA-N
XLogP2.53
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one
CID 136710780
5-(5-methyl-1,2-oxazol-4-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 55202377
5-(4-methoxythiophen-2-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 81124292
5-(1,5-dimethylpyrazol-4-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 63343323
5-(2-methoxy-3-pyridinyl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 63343186
3-(1-piperazin-1-ylethyl)-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazole
CID 63343278
5-(2-phenylethyl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 63343102
5-[(2-methylphenyl)methyl]-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 63343354
3-(1-piperazin-1-ylbutyl)-5-thiophen-3-yl-1,2,4-oxadiazole
CID 63342810
3-(1-piperazin-1-ylethyl)-5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazole
CID 63834040
5-(4-chlorophenyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole
CID 63342976
3-(1-chloroethyl)-5-(3-methylthiophen-2-yl)-1,2,4-oxadiazole
CID 102661099

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromothiophen-2-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3-bromothiophen-2-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole (CID 63796485) is 5-(3-bromothiophen-2-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-bromothiophen-2-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-bromothiophen-2-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole is CC(c1noc(-c2sccc2Br)n1)N1CCNCC1.
What is the InChIKey of 5-(3-bromothiophen-2-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole?
The InChIKey is WRCUUIIBEQOPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4OS/c1-8(17-5-3-14-4-6-17)11-15-12(18-16-11)10-9(13)2-7-19-10/h2,7-8,14H,3-6H2,1H3.
What are the key properties of 5-(3-bromothiophen-2-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole?
5-(3-bromothiophen-2-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole has a molecular weight of 343.25 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromothiophen-2-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 63796485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).