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

C11H20N4O2 — CID 56828240

IUPAC2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol
SMILESCCc1noc(CN2CCN(CCO)CC2)n1
InChIInChI=1S/C11H20N4O2/c1-2-10-12-11(17-13-10)9-15-5-3-14(4-6-15)7-8-16/h16H,2-9H2,1H3
InChIKeyKCQCVPWZASKDSS-UHFFFAOYSA-N
MW240.31 g/mol
LogP-0.26
Rot. Bonds5

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

2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol (PubChem CID 56828240) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol
PubChem CID56828240
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol
SMILESCCc1noc(CN2CCN(CCO)CC2)n1
InChIInChI=1S/C11H20N4O2/c1-2-10-12-11(17-13-10)9-15-5-3-14(4-6-15)7-8-16/h16H,2-9H2,1H3
InChIKeyKCQCVPWZASKDSS-UHFFFAOYSA-N
XLogP-0.26
TPSA65.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol (CID 56828240) is 2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol is CCc1noc(CN2CCN(CCO)CC2)n1.
What is the InChIKey of 2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol?
The InChIKey is KCQCVPWZASKDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-2-10-12-11(17-13-10)9-15-5-3-14(4-6-15)7-8-16/h16H,2-9H2,1H3.
What are the key properties of 2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol?
2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol has a molecular weight of 240.31 g/mol, XLogP of -0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 56828240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).