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

C9H12N4O4 — CID 107439869

IUPAC1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxopiperazine-2-carboxylic acid
SMILESCc1noc(CN2CC(=O)NCC2C(=O)O)n1
InChIInChI=1S/C9H12N4O4/c1-5-11-8(17-12-5)4-13-3-7(14)10-2-6(13)9(15)16/h6H,2-4H2,1H3,(H,10,14)(H,15,16)
InChIKeyMQNJYBVLJVUZPZ-UHFFFAOYSA-N
MW240.22 g/mol
LogP-1.24
Rot. Bonds3

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

1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxopiperazine-2-carboxylic acid (PubChem CID 107439869) has the molecular formula C9H12N4O4 and a molecular weight of 240.22 g/mol. Its IUPAC name is 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxopiperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxopiperazine-2-carboxylic acid
PubChem CID107439869
Molecular FormulaC9H12N4O4
Molecular Weight240.22 g/mol
Exact Mass240.09
IUPAC Name1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxopiperazine-2-carboxylic acid
SMILESCc1noc(CN2CC(=O)NCC2C(=O)O)n1
InChIInChI=1S/C9H12N4O4/c1-5-11-8(17-12-5)4-13-3-7(14)10-2-6(13)9(15)16/h6H,2-4H2,1H3,(H,10,14)(H,15,16)
InChIKeyMQNJYBVLJVUZPZ-UHFFFAOYSA-N
XLogP-1.24
TPSA108.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-oxo-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-2-carboxylic acid
CID 107439882
1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-oxopiperazine-2-carboxylic acid
CID 107439791
1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-5-oxopiperazine-2-carboxylic acid
CID 107439578
1-[(E)-but-2-enyl]-5-oxopiperazine-2-carboxylic acid
CID 107439980
1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-5-oxopiperazine-2-carboxylic acid
CID 107439547
1-[(4-fluoro-2-methylphenyl)methyl]-5-oxopiperazine-2-carboxylic acid
CID 107440024
3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxylic acid
CID 107072051
1-(2-ethoxyethyl)-5-oxopiperazine-2-carboxylic acid
CID 107439843
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxylic acid
CID 43414257
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7-phenyl-1,4-diazepan-5-one
CID 47069601
1-(5-methyl-1,2-oxazole-3-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107432931
methyl 4-hydroxy-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxylate
CID 112633014

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxopiperazine-2-carboxylic acid?
The IUPAC name of 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxopiperazine-2-carboxylic acid (CID 107439869) is 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxopiperazine-2-carboxylic acid.
What is the SMILES notation for 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxopiperazine-2-carboxylic acid?
The canonical SMILES for 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxopiperazine-2-carboxylic acid is Cc1noc(CN2CC(=O)NCC2C(=O)O)n1.
What is the InChIKey of 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxopiperazine-2-carboxylic acid?
The InChIKey is MQNJYBVLJVUZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O4/c1-5-11-8(17-12-5)4-13-3-7(14)10-2-6(13)9(15)16/h6H,2-4H2,1H3,(H,10,14)(H,15,16).
What are the key properties of 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxopiperazine-2-carboxylic acid?
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxopiperazine-2-carboxylic acid has a molecular weight of 240.22 g/mol, XLogP of -1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxopiperazine-2-carboxylic acid is sourced from PubChem (CID 107439869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).