4-[5-(acetyloxymethyl)-1,2,4-oxadiazol-3-yl]piperazine-1-carboxylic acid

C10H14N4O5 — CID 123494082

IUPAC4-[5-(acetyloxymethyl)-1,2,4-oxadiazol-3-yl]piperazine-1-carboxylic acid
SMILESCC(=O)OCc1nc(N2CCN(C(=O)O)CC2)no1
InChIInChI=1S/C10H14N4O5/c1-7(15)18-6-8-11-9(12-19-8)13-2-4-14(5-3-13)10(16)17/h2-6H2,1H3,(H,16,17)
InChIKeyGTBVXJLSJIXIDI-UHFFFAOYSA-N
MW270.24 g/mol
LogP-0.07
Rot. Bonds3

About 4-[5-(acetyloxymethyl)-1,2,4-oxadiazol-3-yl]piperazine-1-carboxylic acid

4-[5-(acetyloxymethyl)-1,2,4-oxadiazol-3-yl]piperazine-1-carboxylic acid (PubChem CID 123494082) has the molecular formula C10H14N4O5 and a molecular weight of 270.24 g/mol. Its IUPAC name is 4-[5-(acetyloxymethyl)-1,2,4-oxadiazol-3-yl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[5-(acetyloxymethyl)-1,2,4-oxadiazol-3-yl]piperazine-1-carboxylic acid
PubChem CID123494082
Molecular FormulaC10H14N4O5
Molecular Weight270.24 g/mol
Exact Mass270.10
IUPAC Name4-[5-(acetyloxymethyl)-1,2,4-oxadiazol-3-yl]piperazine-1-carboxylic acid
SMILESCC(=O)OCc1nc(N2CCN(C(=O)O)CC2)no1
InChIInChI=1S/C10H14N4O5/c1-7(15)18-6-8-11-9(12-19-8)13-2-4-14(5-3-13)10(16)17/h2-6H2,1H3,(H,16,17)
InChIKeyGTBVXJLSJIXIDI-UHFFFAOYSA-N
XLogP-0.07
TPSA109.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[5-(acetyloxymethyl)-1,2,4-oxadiazol-3-yl]piperazine-1-carboxylic acid 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-(acetyloxymethyl)-1,2,4-oxadiazol-3-yl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[5-(acetyloxymethyl)-1,2,4-oxadiazol-3-yl]piperazine-1-carboxylic acid (CID 123494082) is 4-[5-(acetyloxymethyl)-1,2,4-oxadiazol-3-yl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[5-(acetyloxymethyl)-1,2,4-oxadiazol-3-yl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[5-(acetyloxymethyl)-1,2,4-oxadiazol-3-yl]piperazine-1-carboxylic acid is CC(=O)OCc1nc(N2CCN(C(=O)O)CC2)no1.
What is the InChIKey of 4-[5-(acetyloxymethyl)-1,2,4-oxadiazol-3-yl]piperazine-1-carboxylic acid?
The InChIKey is GTBVXJLSJIXIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O5/c1-7(15)18-6-8-11-9(12-19-8)13-2-4-14(5-3-13)10(16)17/h2-6H2,1H3,(H,16,17).
What are the key properties of 4-[5-(acetyloxymethyl)-1,2,4-oxadiazol-3-yl]piperazine-1-carboxylic acid?
4-[5-(acetyloxymethyl)-1,2,4-oxadiazol-3-yl]piperazine-1-carboxylic acid has a molecular weight of 270.24 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(acetyloxymethyl)-1,2,4-oxadiazol-3-yl]piperazine-1-carboxylic acid is sourced from PubChem (CID 123494082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).