4-(3-methyl-1,2,4-oxadiazole-5-carbonyl)piperazin-2-one

C8H10N4O3 — CID 29133530

IUPAC4-(3-methyl-1,2,4-oxadiazole-5-carbonyl)piperazin-2-one
SMILESCc1noc(C(=O)N2CCNC(=O)C2)n1
InChIInChI=1S/C8H10N4O3/c1-5-10-7(15-11-5)8(14)12-3-2-9-6(13)4-12/h2-4H2,1H3,(H,9,13)
InChIKeyPPXCXRLYZFKJMT-UHFFFAOYSA-N
MW210.19 g/mol
LogP-1.05
Rot. Bonds1

About 4-(3-methyl-1,2,4-oxadiazole-5-carbonyl)piperazin-2-one

4-(3-methyl-1,2,4-oxadiazole-5-carbonyl)piperazin-2-one (PubChem CID 29133530) has the molecular formula C8H10N4O3 and a molecular weight of 210.19 g/mol. Its IUPAC name is 4-(3-methyl-1,2,4-oxadiazole-5-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name4-(3-methyl-1,2,4-oxadiazole-5-carbonyl)piperazin-2-one
PubChem CID29133530
Molecular FormulaC8H10N4O3
Molecular Weight210.19 g/mol
Exact Mass210.08
IUPAC Name4-(3-methyl-1,2,4-oxadiazole-5-carbonyl)piperazin-2-one
SMILESCc1noc(C(=O)N2CCNC(=O)C2)n1
InChIInChI=1S/C8H10N4O3/c1-5-10-7(15-11-5)8(14)12-3-2-9-6(13)4-12/h2-4H2,1H3,(H,9,13)
InChIKeyPPXCXRLYZFKJMT-UHFFFAOYSA-N
XLogP-1.05
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-1.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetylpiperazin-2-one
CID 12744517
1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]-1,4-diazepan-5-one
CID 62046417
4-(2-amino-5-methylbenzoyl)piperazin-2-one
CID 62510710
4-(2,5-dimethylbenzoyl)piperazin-2-one
CID 31096061
4-(5-amino-1,3,4-thiadiazole-2-carbonyl)piperazin-2-one
CID 80615710
4-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]piperazin-2-one
CID 51076217
N-methyl-3-oxopiperazine-1-carboxamide
CID 53017571
4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-2-one
CID 60693398
4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-2-one
CID 66378570
4-[6-(1-acetyl-4-methylpiperidin-4-yl)-2-methylpyrimidine-4-carbonyl]piperazin-2-one
CID 110090634
4-(2-bromopyridine-3-carbonyl)piperazin-2-one
CID 103753853
4-(6-fluoropyridine-2-carbonyl)piperazin-2-one
CID 115496615

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1,2,4-oxadiazole-5-carbonyl)piperazin-2-one?
The IUPAC name of 4-(3-methyl-1,2,4-oxadiazole-5-carbonyl)piperazin-2-one (CID 29133530) is 4-(3-methyl-1,2,4-oxadiazole-5-carbonyl)piperazin-2-one.
What is the SMILES notation for 4-(3-methyl-1,2,4-oxadiazole-5-carbonyl)piperazin-2-one?
The canonical SMILES for 4-(3-methyl-1,2,4-oxadiazole-5-carbonyl)piperazin-2-one is Cc1noc(C(=O)N2CCNC(=O)C2)n1.
What is the InChIKey of 4-(3-methyl-1,2,4-oxadiazole-5-carbonyl)piperazin-2-one?
The InChIKey is PPXCXRLYZFKJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O3/c1-5-10-7(15-11-5)8(14)12-3-2-9-6(13)4-12/h2-4H2,1H3,(H,9,13).
What are the key properties of 4-(3-methyl-1,2,4-oxadiazole-5-carbonyl)piperazin-2-one?
4-(3-methyl-1,2,4-oxadiazole-5-carbonyl)piperazin-2-one has a molecular weight of 210.19 g/mol, XLogP of -1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1,2,4-oxadiazole-5-carbonyl)piperazin-2-one is sourced from PubChem (CID 29133530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).