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

C13H23N5O2 — CID 106961238

IUPAC3,3-dimethyl-4-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]piperazin-2-one
SMILESCCCNC(C)c1nnc(N2CCNC(=O)C2(C)C)o1
InChIInChI=1S/C13H23N5O2/c1-5-6-14-9(2)10-16-17-12(20-10)18-8-7-15-11(19)13(18,3)4/h9,14H,5-8H2,1-4H3,(H,15,19)
InChIKeyIMAKHXLKMCITIU-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.85
Rot. Bonds5

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

3,3-dimethyl-4-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]piperazin-2-one (PubChem CID 106961238) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3,3-dimethyl-4-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]piperazin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-4-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]piperazin-2-one
PubChem CID106961238
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name3,3-dimethyl-4-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]piperazin-2-one
SMILESCCCNC(C)c1nnc(N2CCNC(=O)C2(C)C)o1
InChIInChI=1S/C13H23N5O2/c1-5-6-14-9(2)10-16-17-12(20-10)18-8-7-15-11(19)13(18,3)4/h9,14H,5-8H2,1-4H3,(H,15,19)
InChIKeyIMAKHXLKMCITIU-UHFFFAOYSA-N
XLogP0.85
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]piperazin-2-one?
The IUPAC name of 3,3-dimethyl-4-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]piperazin-2-one (CID 106961238) is 3,3-dimethyl-4-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]piperazin-2-one.
What is the SMILES notation for 3,3-dimethyl-4-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]piperazin-2-one?
The canonical SMILES for 3,3-dimethyl-4-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]piperazin-2-one is CCCNC(C)c1nnc(N2CCNC(=O)C2(C)C)o1.
What is the InChIKey of 3,3-dimethyl-4-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]piperazin-2-one?
The InChIKey is IMAKHXLKMCITIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-5-6-14-9(2)10-16-17-12(20-10)18-8-7-15-11(19)13(18,3)4/h9,14H,5-8H2,1-4H3,(H,15,19).
What are the key properties of 3,3-dimethyl-4-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]piperazin-2-one?
3,3-dimethyl-4-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]piperazin-2-one has a molecular weight of 281.36 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]piperazin-2-one is sourced from PubChem (CID 106961238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).