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

C15H24N6O2 — CID 56804687

IUPAC5-ethyl-3-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCCc1nc(CN2CCN(Cc3noc(CC)n3)C(C)C2)no1
InChIInChI=1S/C15H24N6O2/c1-4-14-16-12(18-22-14)9-20-6-7-21(11(3)8-20)10-13-17-15(5-2)23-19-13/h11H,4-10H2,1-3H3
InChIKeyFYSOPWTZOCJZCC-UHFFFAOYSA-N
MW320.40 g/mol
LogP1.28
Rot. Bonds6

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

5-ethyl-3-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 56804687) has the molecular formula C15H24N6O2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 5-ethyl-3-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-ethyl-3-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID56804687
Molecular FormulaC15H24N6O2
Molecular Weight320.40 g/mol
Exact Mass320.20
IUPAC Name5-ethyl-3-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCCc1nc(CN2CCN(Cc3noc(CC)n3)C(C)C2)no1
InChIInChI=1S/C15H24N6O2/c1-4-14-16-12(18-22-14)9-20-6-7-21(11(3)8-20)10-13-17-15(5-2)23-19-13/h11H,4-10H2,1-3H3
InChIKeyFYSOPWTZOCJZCC-UHFFFAOYSA-N
XLogP1.28
TPSA84.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-ethyl-3-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole (CID 56804687) is 5-ethyl-3-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-ethyl-3-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-ethyl-3-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole is CCc1nc(CN2CCN(Cc3noc(CC)n3)C(C)C2)no1.
What is the InChIKey of 5-ethyl-3-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is FYSOPWTZOCJZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O2/c1-4-14-16-12(18-22-14)9-20-6-7-21(11(3)8-20)10-13-17-15(5-2)23-19-13/h11H,4-10H2,1-3H3.
What are the key properties of 5-ethyl-3-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole?
5-ethyl-3-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 320.40 g/mol, XLogP of 1.28, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 56804687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).