4-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-ethylpiperazine-2,6-dione

C13H15N3O4 — CID 66067569

IUPAC4-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(=O)c1cc(C2CC2)on1
InChIInChI=1S/C13H15N3O4/c1-2-9-12(18)14-11(17)6-16(9)13(19)8-5-10(20-15-8)7-3-4-7/h5,7,9H,2-4,6H2,1H3,(H,14,17,18)
InChIKeyCPEVIGQCFRNBOY-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.43
Rot. Bonds3

About 4-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-ethylpiperazine-2,6-dione

4-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-ethylpiperazine-2,6-dione (PubChem CID 66067569) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is 4-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-ethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-ethylpiperazine-2,6-dione
PubChem CID66067569
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name4-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(=O)c1cc(C2CC2)on1
InChIInChI=1S/C13H15N3O4/c1-2-9-12(18)14-11(17)6-16(9)13(19)8-5-10(20-15-8)7-3-4-7/h5,7,9H,2-4,6H2,1H3,(H,14,17,18)
InChIKeyCPEVIGQCFRNBOY-UHFFFAOYSA-N
XLogP0.43
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-ethylpiperazine-2,6-dione?
The IUPAC name of 4-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-ethylpiperazine-2,6-dione (CID 66067569) is 4-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-ethylpiperazine-2,6-dione.
What is the SMILES notation for 4-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-ethylpiperazine-2,6-dione?
The canonical SMILES for 4-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-ethylpiperazine-2,6-dione is CCC1C(=O)NC(=O)CN1C(=O)c1cc(C2CC2)on1.
What is the InChIKey of 4-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-ethylpiperazine-2,6-dione?
The InChIKey is CPEVIGQCFRNBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-2-9-12(18)14-11(17)6-16(9)13(19)8-5-10(20-15-8)7-3-4-7/h5,7,9H,2-4,6H2,1H3,(H,14,17,18).
What are the key properties of 4-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-ethylpiperazine-2,6-dione?
4-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-ethylpiperazine-2,6-dione has a molecular weight of 277.28 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-ethylpiperazine-2,6-dione is sourced from PubChem (CID 66067569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).