2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-piperazin-1-ylethanone

C9H14N4O2 — CID 82508040

IUPAC2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-piperazin-1-ylethanone
SMILESCc1nnc(CC(=O)N2CCNCC2)o1
InChIInChI=1S/C9H14N4O2/c1-7-11-12-8(15-7)6-9(14)13-4-2-10-3-5-13/h10H,2-6H2,1H3
InChIKeyFNVWHBMAXCTLGL-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.65
Rot. Bonds2

About 2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-piperazin-1-ylethanone

2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-piperazin-1-ylethanone (PubChem CID 82508040) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-piperazin-1-ylethanone
PubChem CID82508040
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-piperazin-1-ylethanone
SMILESCc1nnc(CC(=O)N2CCNCC2)o1
InChIInChI=1S/C9H14N4O2/c1-7-11-12-8(15-7)6-9(14)13-4-2-10-3-5-13/h10H,2-6H2,1H3
InChIKeyFNVWHBMAXCTLGL-UHFFFAOYSA-N
XLogP-0.65
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-piperazin-1-ylethanone?
The IUPAC name of 2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-piperazin-1-ylethanone (CID 82508040) is 2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-piperazin-1-ylethanone?
The canonical SMILES for 2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-piperazin-1-ylethanone is Cc1nnc(CC(=O)N2CCNCC2)o1.
What is the InChIKey of 2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-piperazin-1-ylethanone?
The InChIKey is FNVWHBMAXCTLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-7-11-12-8(15-7)6-9(14)13-4-2-10-3-5-13/h10H,2-6H2,1H3.
What are the key properties of 2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-piperazin-1-ylethanone?
2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-piperazin-1-ylethanone has a molecular weight of 210.24 g/mol, XLogP of -0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-piperazin-1-ylethanone is sourced from PubChem (CID 82508040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).