1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenylpiperazine-2,5-dione

C14H14N4O3 — CID 106409640

IUPAC1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenylpiperazine-2,5-dione
SMILESO=C1CN(CCc2ncon2)C(=O)C(c2ccccc2)N1
InChIInChI=1S/C14H14N4O3/c19-12-8-18(7-6-11-15-9-21-17-11)14(20)13(16-12)10-4-2-1-3-5-10/h1-5,9,13H,6-8H2,(H,16,19)
InChIKeyXSHLNKIEJAXCGA-UHFFFAOYSA-N
MW286.29 g/mol
LogP0.31
Rot. Bonds4

About 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenylpiperazine-2,5-dione

1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenylpiperazine-2,5-dione (PubChem CID 106409640) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenylpiperazine-2,5-dione
PubChem CID106409640
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenylpiperazine-2,5-dione
SMILESO=C1CN(CCc2ncon2)C(=O)C(c2ccccc2)N1
InChIInChI=1S/C14H14N4O3/c19-12-8-18(7-6-11-15-9-21-17-11)14(20)13(16-12)10-4-2-1-3-5-10/h1-5,9,13H,6-8H2,(H,16,19)
InChIKeyXSHLNKIEJAXCGA-UHFFFAOYSA-N
XLogP0.31
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenyl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
CID 64970395
1-benzyl-3-phenylpiperazine-2,5-dione
CID 20794522
1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-phenylpiperazine-2,5-dione
CID 106409186
1-(2-ethoxyethyl)-3-phenylpiperazine-2,5-dione
CID 64878640
3-amino-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-2-one
CID 106402267
1-[(5-methyloxolan-2-yl)methyl]-3-phenylpiperazine-2,5-dione
CID 103142004
3-phenyl-1-prop-2-ynylpiperazine-2,5-dione
CID 64963692
3-phenyl-1-(1,3-thiazol-2-ylmethyl)piperazine-2,5-dione
CID 64965734
4-hydroxy-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-2-one
CID 106408264
1-[(E)-but-2-enyl]-3-phenylpiperazine-2,5-dione
CID 107898417
1-[(1-methylpyrrolidin-3-yl)methyl]-3-phenylpiperazine-2,5-dione
CID 64963539
1-[(5-bromothiophen-2-yl)methyl]-3-phenylpiperazine-2,5-dione
CID 64879769

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenylpiperazine-2,5-dione?
The IUPAC name of 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenylpiperazine-2,5-dione (CID 106409640) is 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenylpiperazine-2,5-dione.
What is the SMILES notation for 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenylpiperazine-2,5-dione?
The canonical SMILES for 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenylpiperazine-2,5-dione is O=C1CN(CCc2ncon2)C(=O)C(c2ccccc2)N1.
What is the InChIKey of 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenylpiperazine-2,5-dione?
The InChIKey is XSHLNKIEJAXCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c19-12-8-18(7-6-11-15-9-21-17-11)14(20)13(16-12)10-4-2-1-3-5-10/h1-5,9,13H,6-8H2,(H,16,19).
What are the key properties of 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenylpiperazine-2,5-dione?
1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenylpiperazine-2,5-dione has a molecular weight of 286.29 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenylpiperazine-2,5-dione is sourced from PubChem (CID 106409640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).