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

C11H16N4O4 — CID 107439882

IUPAC5-oxo-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-2-carboxylic acid
SMILESCCCc1noc(CN2CC(=O)NCC2C(=O)O)n1
InChIInChI=1S/C11H16N4O4/c1-2-3-8-13-10(19-14-8)6-15-5-9(16)12-4-7(15)11(17)18/h7H,2-6H2,1H3,(H,12,16)(H,17,18)
InChIKeyVYVDRPJPTWMZEJ-UHFFFAOYSA-N
MW268.27 g/mol
LogP-0.59
Rot. Bonds5

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

5-oxo-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-2-carboxylic acid (PubChem CID 107439882) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 5-oxo-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-2-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-2-carboxylic acid
PubChem CID107439882
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name5-oxo-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-2-carboxylic acid
SMILESCCCc1noc(CN2CC(=O)NCC2C(=O)O)n1
InChIInChI=1S/C11H16N4O4/c1-2-3-8-13-10(19-14-8)6-15-5-9(16)12-4-7(15)11(17)18/h7H,2-6H2,1H3,(H,12,16)(H,17,18)
InChIKeyVYVDRPJPTWMZEJ-UHFFFAOYSA-N
XLogP-0.59
TPSA108.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-oxo-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-2-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 5-oxo-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-2-carboxylic acid?
The IUPAC name of 5-oxo-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-2-carboxylic acid (CID 107439882) is 5-oxo-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-2-carboxylic acid.
What is the SMILES notation for 5-oxo-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-2-carboxylic acid?
The canonical SMILES for 5-oxo-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-2-carboxylic acid is CCCc1noc(CN2CC(=O)NCC2C(=O)O)n1.
What is the InChIKey of 5-oxo-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-2-carboxylic acid?
The InChIKey is VYVDRPJPTWMZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-2-3-8-13-10(19-14-8)6-15-5-9(16)12-4-7(15)11(17)18/h7H,2-6H2,1H3,(H,12,16)(H,17,18).
What are the key properties of 5-oxo-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-2-carboxylic acid?
5-oxo-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-2-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of -0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-2-carboxylic acid is sourced from PubChem (CID 107439882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).