(2R)-1-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-2-ol

C16H24N4O2S — CID 111488051

IUPAC(2R)-1-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-2-ol
SMILESCC[C@@H](O)CN1CCN(C(C)c2nc(-c3cccs3)no2)CC1
InChIInChI=1S/C16H24N4O2S/c1-3-13(21)11-19-6-8-20(9-7-19)12(2)16-17-15(18-22-16)14-5-4-10-23-14/h4-5,10,12-13,21H,3,6-9,11H2,1-2H3/t12?,13-/m1/s1
InChIKeyHSKZLUAFYXMHIB-ZGTCLIOFSA-N
MW336.46 g/mol
LogP2.25
Rot. Bonds6

About (2R)-1-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-2-ol

(2R)-1-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-2-ol (PubChem CID 111488051) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is (2R)-1-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-2-ol
PubChem CID111488051
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC Name(2R)-1-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-2-ol
SMILESCC[C@@H](O)CN1CCN(C(C)c2nc(-c3cccs3)no2)CC1
InChIInChI=1S/C16H24N4O2S/c1-3-13(21)11-19-6-8-20(9-7-19)12(2)16-17-15(18-22-16)14-5-4-10-23-14/h4-5,10,12-13,21H,3,6-9,11H2,1-2H3/t12?,13-/m1/s1
InChIKeyHSKZLUAFYXMHIB-ZGTCLIOFSA-N
XLogP2.25
TPSA65.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R)-1-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-2-ol with MolForge

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Related Compounds

5-[(1S)-1-(4-ethylpiperazin-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 95153364
1-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-2-ol
CID 111489338
1-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol
CID 110887633
5-[1-(4-phenylpiperazin-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 51113619
2-amino-1-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone;dihydrochloride
CID 119868196
(1-aminocyclopropyl)-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 119868166
(2S,6S)-2,6-dimethyl-4-[(1R)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]morpholine
CID 98950692
[(2R)-piperidin-2-yl]-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
CID 119868171
5-[1-[4-(2-methylpropyl)piperazin-1-yl]ethyl]-3-phenyl-1,2,4-oxadiazole
CID 75831255
(1-aminocyclohexyl)-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 119868200
N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
CID 60752359
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 120799295

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-2-ol?
The IUPAC name of (2R)-1-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-2-ol (CID 111488051) is (2R)-1-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-2-ol.
What is the SMILES notation for (2R)-1-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-2-ol?
The canonical SMILES for (2R)-1-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-2-ol is CC[C@@H](O)CN1CCN(C(C)c2nc(-c3cccs3)no2)CC1.
What is the InChIKey of (2R)-1-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-2-ol?
The InChIKey is HSKZLUAFYXMHIB-ZGTCLIOFSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-3-13(21)11-19-6-8-20(9-7-19)12(2)16-17-15(18-22-16)14-5-4-10-23-14/h4-5,10,12-13,21H,3,6-9,11H2,1-2H3/t12?,13-/m1/s1.
What are the key properties of (2R)-1-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-2-ol?
(2R)-1-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-2-ol has a molecular weight of 336.46 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-2-ol is sourced from PubChem (CID 111488051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).