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

C11H19N5O2 — CID 115345453

IUPAC3-[[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one
SMILESCN(C)CCc1noc(CC2NCCNC2=O)n1
InChIInChI=1S/C11H19N5O2/c1-16(2)6-3-9-14-10(18-15-9)7-8-11(17)13-5-4-12-8/h8,12H,3-7H2,1-2H3,(H,13,17)
InChIKeyNRFQHXBQMDJKIC-UHFFFAOYSA-N
MW253.31 g/mol
LogP-1.20
Rot. Bonds5

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

3-[[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one (PubChem CID 115345453) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 3-[[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one.

Molecular Properties

Compound Name3-[[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one
PubChem CID115345453
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name3-[[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one
SMILESCN(C)CCc1noc(CC2NCCNC2=O)n1
InChIInChI=1S/C11H19N5O2/c1-16(2)6-3-9-14-10(18-15-9)7-8-11(17)13-5-4-12-8/h8,12H,3-7H2,1-2H3,(H,13,17)
InChIKeyNRFQHXBQMDJKIC-UHFFFAOYSA-N
XLogP-1.20
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one?
The IUPAC name of 3-[[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one (CID 115345453) is 3-[[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one.
What is the SMILES notation for 3-[[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one?
The canonical SMILES for 3-[[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one is CN(C)CCc1noc(CC2NCCNC2=O)n1.
What is the InChIKey of 3-[[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one?
The InChIKey is NRFQHXBQMDJKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-16(2)6-3-9-14-10(18-15-9)7-8-11(17)13-5-4-12-8/h8,12H,3-7H2,1-2H3,(H,13,17).
What are the key properties of 3-[[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one?
3-[[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one has a molecular weight of 253.31 g/mol, XLogP of -1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one is sourced from PubChem (CID 115345453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).