3,3-dimethyl-4-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]piperazine-2,6-dione

C10H15N5O3 — CID 106962544

IUPAC3,3-dimethyl-4-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]piperazine-2,6-dione
SMILESCNCc1nnc(N2CC(=O)NC(=O)C2(C)C)o1
InChIInChI=1S/C10H15N5O3/c1-10(2)8(17)12-6(16)5-15(10)9-14-13-7(18-9)4-11-3/h11H,4-5H2,1-3H3,(H,12,16,17)
InChIKeyLISXOTLXUTXOEL-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.97
Rot. Bonds3

About 3,3-dimethyl-4-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]piperazine-2,6-dione

3,3-dimethyl-4-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]piperazine-2,6-dione (PubChem CID 106962544) has the molecular formula C10H15N5O3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3,3-dimethyl-4-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]piperazine-2,6-dione.

Molecular Properties

Compound Name3,3-dimethyl-4-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]piperazine-2,6-dione
PubChem CID106962544
Molecular FormulaC10H15N5O3
Molecular Weight253.26 g/mol
Exact Mass253.12
IUPAC Name3,3-dimethyl-4-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]piperazine-2,6-dione
SMILESCNCc1nnc(N2CC(=O)NC(=O)C2(C)C)o1
InChIInChI=1S/C10H15N5O3/c1-10(2)8(17)12-6(16)5-15(10)9-14-13-7(18-9)4-11-3/h11H,4-5H2,1-3H3,(H,12,16,17)
InChIKeyLISXOTLXUTXOEL-UHFFFAOYSA-N
XLogP-0.97
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]piperazine-2,6-dione?
The IUPAC name of 3,3-dimethyl-4-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]piperazine-2,6-dione (CID 106962544) is 3,3-dimethyl-4-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]piperazine-2,6-dione.
What is the SMILES notation for 3,3-dimethyl-4-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]piperazine-2,6-dione?
The canonical SMILES for 3,3-dimethyl-4-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]piperazine-2,6-dione is CNCc1nnc(N2CC(=O)NC(=O)C2(C)C)o1.
What is the InChIKey of 3,3-dimethyl-4-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]piperazine-2,6-dione?
The InChIKey is LISXOTLXUTXOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3/c1-10(2)8(17)12-6(16)5-15(10)9-14-13-7(18-9)4-11-3/h11H,4-5H2,1-3H3,(H,12,16,17).
What are the key properties of 3,3-dimethyl-4-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]piperazine-2,6-dione?
3,3-dimethyl-4-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]piperazine-2,6-dione has a molecular weight of 253.26 g/mol, XLogP of -0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]piperazine-2,6-dione is sourced from PubChem (CID 106962544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).