6-ethyl-3,3-dimethyl-1-(1,2-oxazol-3-ylmethyl)piperazine-2,5-dione

C12H17N3O3 — CID 81174229

IUPAC6-ethyl-3,3-dimethyl-1-(1,2-oxazol-3-ylmethyl)piperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(C)C(=O)N1Cc1ccon1
InChIInChI=1S/C12H17N3O3/c1-4-9-10(16)13-12(2,3)11(17)15(9)7-8-5-6-18-14-8/h5-6,9H,4,7H2,1-3H3,(H,13,16)
InChIKeyNAOARZRODIBFTE-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.69
Rot. Bonds3

About 6-ethyl-3,3-dimethyl-1-(1,2-oxazol-3-ylmethyl)piperazine-2,5-dione

6-ethyl-3,3-dimethyl-1-(1,2-oxazol-3-ylmethyl)piperazine-2,5-dione (PubChem CID 81174229) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 6-ethyl-3,3-dimethyl-1-(1,2-oxazol-3-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-3,3-dimethyl-1-(1,2-oxazol-3-ylmethyl)piperazine-2,5-dione
PubChem CID81174229
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name6-ethyl-3,3-dimethyl-1-(1,2-oxazol-3-ylmethyl)piperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(C)C(=O)N1Cc1ccon1
InChIInChI=1S/C12H17N3O3/c1-4-9-10(16)13-12(2,3)11(17)15(9)7-8-5-6-18-14-8/h5-6,9H,4,7H2,1-3H3,(H,13,16)
InChIKeyNAOARZRODIBFTE-UHFFFAOYSA-N
XLogP0.69
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3,3-dimethyl-1-(1,2-oxazol-3-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 6-ethyl-3,3-dimethyl-1-(1,2-oxazol-3-ylmethyl)piperazine-2,5-dione (CID 81174229) is 6-ethyl-3,3-dimethyl-1-(1,2-oxazol-3-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-3,3-dimethyl-1-(1,2-oxazol-3-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 6-ethyl-3,3-dimethyl-1-(1,2-oxazol-3-ylmethyl)piperazine-2,5-dione is CCC1C(=O)NC(C)(C)C(=O)N1Cc1ccon1.
What is the InChIKey of 6-ethyl-3,3-dimethyl-1-(1,2-oxazol-3-ylmethyl)piperazine-2,5-dione?
The InChIKey is NAOARZRODIBFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-4-9-10(16)13-12(2,3)11(17)15(9)7-8-5-6-18-14-8/h5-6,9H,4,7H2,1-3H3,(H,13,16).
What are the key properties of 6-ethyl-3,3-dimethyl-1-(1,2-oxazol-3-ylmethyl)piperazine-2,5-dione?
6-ethyl-3,3-dimethyl-1-(1,2-oxazol-3-ylmethyl)piperazine-2,5-dione has a molecular weight of 251.29 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3,3-dimethyl-1-(1,2-oxazol-3-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 81174229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).