4-(5-amino-1,3,4-oxadiazol-2-yl)-3,3-dimethylpiperazine-2,6-dione

C8H11N5O3 — CID 103437129

IUPAC4-(5-amino-1,3,4-oxadiazol-2-yl)-3,3-dimethylpiperazine-2,6-dione
SMILESCC1(C)C(=O)NC(=O)CN1c1nnc(N)o1
InChIInChI=1S/C8H11N5O3/c1-8(2)5(15)10-4(14)3-13(8)7-12-11-6(9)16-7/h3H2,1-2H3,(H2,9,11)(H,10,14,15)
InChIKeyRIXKNARXSFZZAF-UHFFFAOYSA-N
MW225.21 g/mol
LogP-1.11
Rot. Bonds1

About 4-(5-amino-1,3,4-oxadiazol-2-yl)-3,3-dimethylpiperazine-2,6-dione

4-(5-amino-1,3,4-oxadiazol-2-yl)-3,3-dimethylpiperazine-2,6-dione (PubChem CID 103437129) has the molecular formula C8H11N5O3 and a molecular weight of 225.21 g/mol. Its IUPAC name is 4-(5-amino-1,3,4-oxadiazol-2-yl)-3,3-dimethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(5-amino-1,3,4-oxadiazol-2-yl)-3,3-dimethylpiperazine-2,6-dione
PubChem CID103437129
Molecular FormulaC8H11N5O3
Molecular Weight225.21 g/mol
Exact Mass225.09
IUPAC Name4-(5-amino-1,3,4-oxadiazol-2-yl)-3,3-dimethylpiperazine-2,6-dione
SMILESCC1(C)C(=O)NC(=O)CN1c1nnc(N)o1
InChIInChI=1S/C8H11N5O3/c1-8(2)5(15)10-4(14)3-13(8)7-12-11-6(9)16-7/h3H2,1-2H3,(H2,9,11)(H,10,14,15)
InChIKeyRIXKNARXSFZZAF-UHFFFAOYSA-N
XLogP-1.11
TPSA114.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-(5-amino-1,3,4-oxadiazol-2-yl)-3,3-dimethylpiperazine-2,6-dione with MolForge

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Related Compounds

3,3-dimethyl-4-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]piperazine-2,6-dione
CID 106962544
4-(3-amino-5-methyl-2-pyridinyl)-3,3-dimethylpiperazine-2,6-dione
CID 66278904
4-(6-amino-5-methylpyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione
CID 80851060
4-(6-amino-3,5-dichloro-2-pyridinyl)-3,3-dimethylpiperazine-2,6-dione
CID 102758858
4-(5-amino-3-chloro-2-pyridinyl)-3,3-dimethylpiperazine-2,6-dione
CID 114046259
3-amino-2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)benzamide
CID 115935224
4-(6-amino-5-propylpyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione
CID 80851224
4-(2-aminothieno[2,3-d]pyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione
CID 103328728
3,3-dimethyl-4-[5-(propylaminomethyl)-1,3-thiazol-2-yl]piperazine-2,6-dione
CID 66075809
4-(6-aminoquinazolin-4-yl)-3,3-dimethylpiperazine-2,6-dione
CID 66074348
4-(6-fluoropyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione
CID 115417140
4-(5-bromo-3-pyridinyl)-3,3-dimethylpiperazine-2,6-dione
CID 104531832

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1,3,4-oxadiazol-2-yl)-3,3-dimethylpiperazine-2,6-dione?
The IUPAC name of 4-(5-amino-1,3,4-oxadiazol-2-yl)-3,3-dimethylpiperazine-2,6-dione (CID 103437129) is 4-(5-amino-1,3,4-oxadiazol-2-yl)-3,3-dimethylpiperazine-2,6-dione.
What is the SMILES notation for 4-(5-amino-1,3,4-oxadiazol-2-yl)-3,3-dimethylpiperazine-2,6-dione?
The canonical SMILES for 4-(5-amino-1,3,4-oxadiazol-2-yl)-3,3-dimethylpiperazine-2,6-dione is CC1(C)C(=O)NC(=O)CN1c1nnc(N)o1.
What is the InChIKey of 4-(5-amino-1,3,4-oxadiazol-2-yl)-3,3-dimethylpiperazine-2,6-dione?
The InChIKey is RIXKNARXSFZZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O3/c1-8(2)5(15)10-4(14)3-13(8)7-12-11-6(9)16-7/h3H2,1-2H3,(H2,9,11)(H,10,14,15).
What are the key properties of 4-(5-amino-1,3,4-oxadiazol-2-yl)-3,3-dimethylpiperazine-2,6-dione?
4-(5-amino-1,3,4-oxadiazol-2-yl)-3,3-dimethylpiperazine-2,6-dione has a molecular weight of 225.21 g/mol, XLogP of -1.11, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-1,3,4-oxadiazol-2-yl)-3,3-dimethylpiperazine-2,6-dione is sourced from PubChem (CID 103437129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).