3-ethyl-4-(1,2-oxazole-5-carbonyl)piperazine-2,6-dione

C10H11N3O4 — CID 66068922

IUPAC3-ethyl-4-(1,2-oxazole-5-carbonyl)piperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(=O)c1ccno1
InChIInChI=1S/C10H11N3O4/c1-2-6-9(15)12-8(14)5-13(6)10(16)7-3-4-11-17-7/h3-4,6H,2,5H2,1H3,(H,12,14,15)
InChIKeyWXMFOIXPTNSQMU-UHFFFAOYSA-N
MW237.21 g/mol
LogP-0.45
Rot. Bonds2

About 3-ethyl-4-(1,2-oxazole-5-carbonyl)piperazine-2,6-dione

3-ethyl-4-(1,2-oxazole-5-carbonyl)piperazine-2,6-dione (PubChem CID 66068922) has the molecular formula C10H11N3O4 and a molecular weight of 237.21 g/mol. Its IUPAC name is 3-ethyl-4-(1,2-oxazole-5-carbonyl)piperazine-2,6-dione.

Molecular Properties

Compound Name3-ethyl-4-(1,2-oxazole-5-carbonyl)piperazine-2,6-dione
PubChem CID66068922
Molecular FormulaC10H11N3O4
Molecular Weight237.21 g/mol
Exact Mass237.07
IUPAC Name3-ethyl-4-(1,2-oxazole-5-carbonyl)piperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(=O)c1ccno1
InChIInChI=1S/C10H11N3O4/c1-2-6-9(15)12-8(14)5-13(6)10(16)7-3-4-11-17-7/h3-4,6H,2,5H2,1H3,(H,12,14,15)
InChIKeyWXMFOIXPTNSQMU-UHFFFAOYSA-N
XLogP-0.45
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazine-2,6-dione
CID 66069280
3-ethyl-4-(5-fluoropyridine-2-carbonyl)piperazine-2,6-dione
CID 104639186
4-(4-aminopyridine-3-carbonyl)-3-ethylpiperazine-2,6-dione
CID 81245317
4-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-ethylpiperazine-2,6-dione
CID 66067569
4-(3-amino-4-fluorobenzoyl)-3-ethylpiperazine-2,6-dione
CID 66067509
4-(2,6-dichlorobenzoyl)-3-ethylpiperazine-2,6-dione
CID 66069654
4-(2,6-dichloropyridine-4-carbonyl)-3-ethylpiperazine-2,6-dione
CID 66068737
3-ethyl-4-(5-fluoro-2-methylbenzoyl)piperazine-2,6-dione
CID 66068909
4-(2,4-dimethylbenzoyl)-3-ethylpiperazine-2,6-dione
CID 66069864
3-ethyl-4-(1-methylimidazole-4-carbonyl)piperazine-2,6-dione
CID 107973136
3-ethyl-4-(4-hydrazinylpyridine-2-carbonyl)piperazine-2,6-dione
CID 66067262
4-(2,3-dichlorobenzoyl)-3-ethylpiperazine-2,6-dione
CID 66069479

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(1,2-oxazole-5-carbonyl)piperazine-2,6-dione?
The IUPAC name of 3-ethyl-4-(1,2-oxazole-5-carbonyl)piperazine-2,6-dione (CID 66068922) is 3-ethyl-4-(1,2-oxazole-5-carbonyl)piperazine-2,6-dione.
What is the SMILES notation for 3-ethyl-4-(1,2-oxazole-5-carbonyl)piperazine-2,6-dione?
The canonical SMILES for 3-ethyl-4-(1,2-oxazole-5-carbonyl)piperazine-2,6-dione is CCC1C(=O)NC(=O)CN1C(=O)c1ccno1.
What is the InChIKey of 3-ethyl-4-(1,2-oxazole-5-carbonyl)piperazine-2,6-dione?
The InChIKey is WXMFOIXPTNSQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4/c1-2-6-9(15)12-8(14)5-13(6)10(16)7-3-4-11-17-7/h3-4,6H,2,5H2,1H3,(H,12,14,15).
What are the key properties of 3-ethyl-4-(1,2-oxazole-5-carbonyl)piperazine-2,6-dione?
3-ethyl-4-(1,2-oxazole-5-carbonyl)piperazine-2,6-dione has a molecular weight of 237.21 g/mol, XLogP of -0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(1,2-oxazole-5-carbonyl)piperazine-2,6-dione is sourced from PubChem (CID 66068922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).