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

C13H24N4O2 — CID 47020572

IUPAC2-[4-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol
SMILESCCCCc1noc(CN2CCN(CCO)CC2)n1
InChIInChI=1S/C13H24N4O2/c1-2-3-4-12-14-13(19-15-12)11-17-7-5-16(6-8-17)9-10-18/h18H,2-11H2,1H3
InChIKeyOMKHXXIDYCYNQT-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.52
Rot. Bonds7

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

2-[4-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol (PubChem CID 47020572) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[4-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol
PubChem CID47020572
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name2-[4-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol
SMILESCCCCc1noc(CN2CCN(CCO)CC2)n1
InChIInChI=1S/C13H24N4O2/c1-2-3-4-12-14-13(19-15-12)11-17-7-5-16(6-8-17)9-10-18/h18H,2-11H2,1H3
InChIKeyOMKHXXIDYCYNQT-UHFFFAOYSA-N
XLogP0.52
TPSA65.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-((3-(Cyclopropylmethyl)-1,2,4-oxadiazol-5-yl)methyl)piperazin-1-yl)-N,N-dimethylacetamide
CID 16190695
Ethyl 4-{[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-1-piperazinecarboxylate
CID 16190197
4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide
CID 38132376
3-Ethyl-5-[1-(4-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 42946511
2-(4-((3-Propyl-1,2,4-oxadiazol-5-yl)methyl)piperazin-1-yl)ethan-1-ol
CID 45250157
4-[[3-(2-Methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 45806304
2-[4-[1-(3-Propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanol
CID 45807995
3-Methyl-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 45814192
N,N-diethyl-4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carboxamide
CID 45815800
3-Ethyl-5-[1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole
CID 45833742
2-[4-[(3-Methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol
CID 47020395
2-[4-[(3-Propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol
CID 47020398

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol (CID 47020572) is 2-[4-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol is CCCCc1noc(CN2CCN(CCO)CC2)n1.
What is the InChIKey of 2-[4-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol?
The InChIKey is OMKHXXIDYCYNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-2-3-4-12-14-13(19-15-12)11-17-7-5-16(6-8-17)9-10-18/h18H,2-11H2,1H3.
What are the key properties of 2-[4-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol?
2-[4-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol has a molecular weight of 268.36 g/mol, XLogP of 0.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 47020572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).