1-(1,2-oxazol-5-ylmethyl)piperazine-2,5-dione

C8H9N3O3 — CID 106422160

IUPAC1-(1,2-oxazol-5-ylmethyl)piperazine-2,5-dione
SMILESO=C1CN(Cc2ccno2)C(=O)CN1
InChIInChI=1S/C8H9N3O3/c12-7-5-11(8(13)3-9-7)4-6-1-2-10-14-6/h1-2H,3-5H2,(H,9,12)
InChIKeyHKTKDJYSTDFXQZ-UHFFFAOYSA-N
MW195.18 g/mol
LogP-0.87
Rot. Bonds2

About 1-(1,2-oxazol-5-ylmethyl)piperazine-2,5-dione

1-(1,2-oxazol-5-ylmethyl)piperazine-2,5-dione (PubChem CID 106422160) has the molecular formula C8H9N3O3 and a molecular weight of 195.18 g/mol. Its IUPAC name is 1-(1,2-oxazol-5-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-(1,2-oxazol-5-ylmethyl)piperazine-2,5-dione
PubChem CID106422160
Molecular FormulaC8H9N3O3
Molecular Weight195.18 g/mol
Exact Mass195.06
IUPAC Name1-(1,2-oxazol-5-ylmethyl)piperazine-2,5-dione
SMILESO=C1CN(Cc2ccno2)C(=O)CN1
InChIInChI=1S/C8H9N3O3/c12-7-5-11(8(13)3-9-7)4-6-1-2-10-14-6/h1-2H,3-5H2,(H,9,12)
InChIKeyHKTKDJYSTDFXQZ-UHFFFAOYSA-N
XLogP-0.87
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-oxazol-5-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 1-(1,2-oxazol-5-ylmethyl)piperazine-2,5-dione (CID 106422160) is 1-(1,2-oxazol-5-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 1-(1,2-oxazol-5-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 1-(1,2-oxazol-5-ylmethyl)piperazine-2,5-dione is O=C1CN(Cc2ccno2)C(=O)CN1.
What is the InChIKey of 1-(1,2-oxazol-5-ylmethyl)piperazine-2,5-dione?
The InChIKey is HKTKDJYSTDFXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3/c12-7-5-11(8(13)3-9-7)4-6-1-2-10-14-6/h1-2H,3-5H2,(H,9,12).
What are the key properties of 1-(1,2-oxazol-5-ylmethyl)piperazine-2,5-dione?
1-(1,2-oxazol-5-ylmethyl)piperazine-2,5-dione has a molecular weight of 195.18 g/mol, XLogP of -0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-oxazol-5-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 106422160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).