2-[1-(4-cyclobutylpiperazin-1-yl)ethyl]-5-(2-methylpropyl)-1,3,4-oxadiazole

C16H28N4O — CID 75463943

IUPAC2-[1-(4-cyclobutylpiperazin-1-yl)ethyl]-5-(2-methylpropyl)-1,3,4-oxadiazole
SMILESCC(C)Cc1nnc(C(C)N2CCN(C3CCC3)CC2)o1
InChIInChI=1S/C16H28N4O/c1-12(2)11-15-17-18-16(21-15)13(3)19-7-9-20(10-8-19)14-5-4-6-14/h12-14H,4-11H2,1-3H3
InChIKeyOYWGYERFLYRZDY-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.50
Rot. Bonds5

About 2-[1-(4-cyclobutylpiperazin-1-yl)ethyl]-5-(2-methylpropyl)-1,3,4-oxadiazole

2-[1-(4-cyclobutylpiperazin-1-yl)ethyl]-5-(2-methylpropyl)-1,3,4-oxadiazole (PubChem CID 75463943) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-[1-(4-cyclobutylpiperazin-1-yl)ethyl]-5-(2-methylpropyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(4-cyclobutylpiperazin-1-yl)ethyl]-5-(2-methylpropyl)-1,3,4-oxadiazole
PubChem CID75463943
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name2-[1-(4-cyclobutylpiperazin-1-yl)ethyl]-5-(2-methylpropyl)-1,3,4-oxadiazole
SMILESCC(C)Cc1nnc(C(C)N2CCN(C3CCC3)CC2)o1
InChIInChI=1S/C16H28N4O/c1-12(2)11-15-17-18-16(21-15)13(3)19-7-9-20(10-8-19)14-5-4-6-14/h12-14H,4-11H2,1-3H3
InChIKeyOYWGYERFLYRZDY-UHFFFAOYSA-N
XLogP2.50
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-cyclobutylpiperazin-1-yl)ethyl]-5-(2-methylpropyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(4-cyclobutylpiperazin-1-yl)ethyl]-5-(2-methylpropyl)-1,3,4-oxadiazole (CID 75463943) is 2-[1-(4-cyclobutylpiperazin-1-yl)ethyl]-5-(2-methylpropyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(4-cyclobutylpiperazin-1-yl)ethyl]-5-(2-methylpropyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(4-cyclobutylpiperazin-1-yl)ethyl]-5-(2-methylpropyl)-1,3,4-oxadiazole is CC(C)Cc1nnc(C(C)N2CCN(C3CCC3)CC2)o1.
What is the InChIKey of 2-[1-(4-cyclobutylpiperazin-1-yl)ethyl]-5-(2-methylpropyl)-1,3,4-oxadiazole?
The InChIKey is OYWGYERFLYRZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-12(2)11-15-17-18-16(21-15)13(3)19-7-9-20(10-8-19)14-5-4-6-14/h12-14H,4-11H2,1-3H3.
What are the key properties of 2-[1-(4-cyclobutylpiperazin-1-yl)ethyl]-5-(2-methylpropyl)-1,3,4-oxadiazole?
2-[1-(4-cyclobutylpiperazin-1-yl)ethyl]-5-(2-methylpropyl)-1,3,4-oxadiazole has a molecular weight of 292.43 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-cyclobutylpiperazin-1-yl)ethyl]-5-(2-methylpropyl)-1,3,4-oxadiazole is sourced from PubChem (CID 75463943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).