1-(1,2-oxazol-3-ylmethyl)-3-propylpiperazine-2,5-dione

C11H15N3O3 — CID 81174153

IUPAC1-(1,2-oxazol-3-ylmethyl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)CN(Cc2ccon2)C1=O
InChIInChI=1S/C11H15N3O3/c1-2-3-9-11(16)14(7-10(15)12-9)6-8-4-5-17-13-8/h4-5,9H,2-3,6-7H2,1H3,(H,12,15)
InChIKeyYCDKVUXZWYPYNZ-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.30
Rot. Bonds4

About 1-(1,2-oxazol-3-ylmethyl)-3-propylpiperazine-2,5-dione

1-(1,2-oxazol-3-ylmethyl)-3-propylpiperazine-2,5-dione (PubChem CID 81174153) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-(1,2-oxazol-3-ylmethyl)-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(1,2-oxazol-3-ylmethyl)-3-propylpiperazine-2,5-dione
PubChem CID81174153
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name1-(1,2-oxazol-3-ylmethyl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)CN(Cc2ccon2)C1=O
InChIInChI=1S/C11H15N3O3/c1-2-3-9-11(16)14(7-10(15)12-9)6-8-4-5-17-13-8/h4-5,9H,2-3,6-7H2,1H3,(H,12,15)
InChIKeyYCDKVUXZWYPYNZ-UHFFFAOYSA-N
XLogP0.30
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.30
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-3-ylmethyl)-3-propylpiperazine-2,5-dione?
The IUPAC name of 1-(1,2-oxazol-3-ylmethyl)-3-propylpiperazine-2,5-dione (CID 81174153) is 1-(1,2-oxazol-3-ylmethyl)-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-(1,2-oxazol-3-ylmethyl)-3-propylpiperazine-2,5-dione?
The canonical SMILES for 1-(1,2-oxazol-3-ylmethyl)-3-propylpiperazine-2,5-dione is CCCC1NC(=O)CN(Cc2ccon2)C1=O.
What is the InChIKey of 1-(1,2-oxazol-3-ylmethyl)-3-propylpiperazine-2,5-dione?
The InChIKey is YCDKVUXZWYPYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-2-3-9-11(16)14(7-10(15)12-9)6-8-4-5-17-13-8/h4-5,9H,2-3,6-7H2,1H3,(H,12,15).
What are the key properties of 1-(1,2-oxazol-3-ylmethyl)-3-propylpiperazine-2,5-dione?
1-(1,2-oxazol-3-ylmethyl)-3-propylpiperazine-2,5-dione has a molecular weight of 237.26 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-oxazol-3-ylmethyl)-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 81174153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).