2-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol

C13H18N4O2S — CID 47010444

IUPAC2-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(Cc2nc(-c3ccsc3)no2)CC1
InChIInChI=1S/C13H18N4O2S/c18-7-6-16-2-4-17(5-3-16)9-12-14-13(15-19-12)11-1-8-20-10-11/h1,8,10,18H,2-7,9H2
InChIKeyDTENTUZUMRCQEQ-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.91
Rot. Bonds5

About 2-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol

2-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol (PubChem CID 47010444) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol
PubChem CID47010444
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name2-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(Cc2nc(-c3ccsc3)no2)CC1
InChIInChI=1S/C13H18N4O2S/c18-7-6-16-2-4-17(5-3-16)9-12-14-13(15-19-12)11-1-8-20-10-11/h1,8,10,18H,2-7,9H2
InChIKeyDTENTUZUMRCQEQ-UHFFFAOYSA-N
XLogP0.91
TPSA65.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol with MolForge

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Launch Full Analysis

Related Compounds

5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 33034311
5-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 94897731
N-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride
CID 119923233
[(1S,2R)-2-methylcyclopropyl]-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 38219276
5-[[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 55411022
(3S)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119933666
(R)-phenyl-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol
CID 51931966
1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 134042328
5-[[(3R)-3-methylpiperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 104975556
(3-fluoro-4-methylphenyl)-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 38220318
N-cyclohexyl-N-methyl-2-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 60500576
3-thiophen-2-yl-5-[[4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 112840492

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol (CID 47010444) is 2-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol is OCCN1CCN(Cc2nc(-c3ccsc3)no2)CC1.
What is the InChIKey of 2-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol?
The InChIKey is DTENTUZUMRCQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c18-7-6-16-2-4-17(5-3-16)9-12-14-13(15-19-12)11-1-8-20-10-11/h1,8,10,18H,2-7,9H2.
What are the key properties of 2-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol?
2-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol has a molecular weight of 294.38 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 47010444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).