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

C14H22N6O2 — CID 56802570

IUPAC3-ethyl-5-[1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCCc1noc(C(C)N2CCN(Cc3noc(C)n3)CC2)n1
InChIInChI=1S/C14H22N6O2/c1-4-12-16-14(22-17-12)10(2)20-7-5-19(6-8-20)9-13-15-11(3)21-18-13/h10H,4-9H2,1-3H3
InChIKeyZYNOKPTZNBNCGV-UHFFFAOYSA-N
MW306.37 g/mol
LogP1.20
Rot. Bonds5

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

3-ethyl-5-[1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole (PubChem CID 56802570) has the molecular formula C14H22N6O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-ethyl-5-[1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-ethyl-5-[1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
PubChem CID56802570
Molecular FormulaC14H22N6O2
Molecular Weight306.37 g/mol
Exact Mass306.18
IUPAC Name3-ethyl-5-[1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCCc1noc(C(C)N2CCN(Cc3noc(C)n3)CC2)n1
InChIInChI=1S/C14H22N6O2/c1-4-12-16-14(22-17-12)10(2)20-7-5-19(6-8-20)9-13-15-11(3)21-18-13/h10H,4-9H2,1-3H3
InChIKeyZYNOKPTZNBNCGV-UHFFFAOYSA-N
XLogP1.20
TPSA84.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-ethyl-5-[1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole (CID 56802570) is 3-ethyl-5-[1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-ethyl-5-[1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-ethyl-5-[1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole is CCc1noc(C(C)N2CCN(Cc3noc(C)n3)CC2)n1.
What is the InChIKey of 3-ethyl-5-[1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The InChIKey is ZYNOKPTZNBNCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O2/c1-4-12-16-14(22-17-12)10(2)20-7-5-19(6-8-20)9-13-15-11(3)21-18-13/h10H,4-9H2,1-3H3.
What are the key properties of 3-ethyl-5-[1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
3-ethyl-5-[1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole has a molecular weight of 306.37 g/mol, XLogP of 1.20, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 56802570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).