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

C11H17N5O3 — CID 106962540

IUPAC4-[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]piperazine-2,6-dione
SMILESCC(C)CNCc1nnc(N2CC(=O)NC(=O)C2)o1
InChIInChI=1S/C11H17N5O3/c1-7(2)3-12-4-10-14-15-11(19-10)16-5-8(17)13-9(18)6-16/h7,12H,3-6H2,1-2H3,(H,13,17,18)
InChIKeyVKQZXOLERWNNMC-UHFFFAOYSA-N
MW267.29 g/mol
LogP-0.72
Rot. Bonds5

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

4-[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]piperazine-2,6-dione (PubChem CID 106962540) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is 4-[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]piperazine-2,6-dione
PubChem CID106962540
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name4-[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]piperazine-2,6-dione
SMILESCC(C)CNCc1nnc(N2CC(=O)NC(=O)C2)o1
InChIInChI=1S/C11H17N5O3/c1-7(2)3-12-4-10-14-15-11(19-10)16-5-8(17)13-9(18)6-16/h7,12H,3-6H2,1-2H3,(H,13,17,18)
InChIKeyVKQZXOLERWNNMC-UHFFFAOYSA-N
XLogP-0.72
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]piperazine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]piperazine-2,6-dione?
The IUPAC name of 4-[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]piperazine-2,6-dione (CID 106962540) is 4-[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]piperazine-2,6-dione.
What is the SMILES notation for 4-[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]piperazine-2,6-dione?
The canonical SMILES for 4-[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]piperazine-2,6-dione is CC(C)CNCc1nnc(N2CC(=O)NC(=O)C2)o1.
What is the InChIKey of 4-[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]piperazine-2,6-dione?
The InChIKey is VKQZXOLERWNNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c1-7(2)3-12-4-10-14-15-11(19-10)16-5-8(17)13-9(18)6-16/h7,12H,3-6H2,1-2H3,(H,13,17,18).
What are the key properties of 4-[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]piperazine-2,6-dione?
4-[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]piperazine-2,6-dione has a molecular weight of 267.29 g/mol, XLogP of -0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]piperazine-2,6-dione is sourced from PubChem (CID 106962540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).