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

C9H14N4O2 — CID 110419007

IUPAC1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nnc(C)o2)CC1
InChIInChI=1S/C9H14N4O2/c1-7-10-11-9(15-7)13-5-3-12(4-6-13)8(2)14/h3-6H2,1-2H3
InChIKeyWTUOEGPLQZTPGY-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.05
Rot. Bonds1

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

1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone (PubChem CID 110419007) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone
PubChem CID110419007
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nnc(C)o2)CC1
InChIInChI=1S/C9H14N4O2/c1-7-10-11-9(15-7)13-5-3-12(4-6-13)8(2)14/h3-6H2,1-2H3
InChIKeyWTUOEGPLQZTPGY-UHFFFAOYSA-N
XLogP0.05
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone (CID 110419007) is 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone is CC(=O)N1CCN(c2nnc(C)o2)CC1.
What is the InChIKey of 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone?
The InChIKey is WTUOEGPLQZTPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-7-10-11-9(15-7)13-5-3-12(4-6-13)8(2)14/h3-6H2,1-2H3.
What are the key properties of 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone?
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone has a molecular weight of 210.24 g/mol, XLogP of 0.05, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 110419007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).