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

C20H26N6O2 — CID 86895225

IUPAC2-benzyl-5-[[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCCc1noc(C(C)N2CCN(Cc3nnc(Cc4ccccc4)o3)CC2)n1
InChIInChI=1S/C20H26N6O2/c1-3-17-21-20(28-24-17)15(2)26-11-9-25(10-12-26)14-19-23-22-18(27-19)13-16-7-5-4-6-8-16/h4-8,15H,3,9-14H2,1-2H3
InChIKeyRFUJUINGYQOKHW-UHFFFAOYSA-N
MW382.47 g/mol
LogP2.48
Rot. Bonds7

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

2-benzyl-5-[[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 86895225) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 2-benzyl-5-[[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-benzyl-5-[[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID86895225
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name2-benzyl-5-[[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCCc1noc(C(C)N2CCN(Cc3nnc(Cc4ccccc4)o3)CC2)n1
InChIInChI=1S/C20H26N6O2/c1-3-17-21-20(28-24-17)15(2)26-11-9-25(10-12-26)14-19-23-22-18(27-19)13-16-7-5-4-6-8-16/h4-8,15H,3,9-14H2,1-2H3
InChIKeyRFUJUINGYQOKHW-UHFFFAOYSA-N
XLogP2.48
TPSA84.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-[[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-benzyl-5-[[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole (CID 86895225) is 2-benzyl-5-[[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-benzyl-5-[[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-benzyl-5-[[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole is CCc1noc(C(C)N2CCN(Cc3nnc(Cc4ccccc4)o3)CC2)n1.
What is the InChIKey of 2-benzyl-5-[[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is RFUJUINGYQOKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-3-17-21-20(28-24-17)15(2)26-11-9-25(10-12-26)14-19-23-22-18(27-19)13-16-7-5-4-6-8-16/h4-8,15H,3,9-14H2,1-2H3.
What are the key properties of 2-benzyl-5-[[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole?
2-benzyl-5-[[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 382.47 g/mol, XLogP of 2.48, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-[[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 86895225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).