4-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one

C8H12N4O2 — CID 117058529

IUPAC4-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
SMILESNCCc1noc(C2CNC(=O)C2)n1
InChIInChI=1S/C8H12N4O2/c9-2-1-6-11-8(14-12-6)5-3-7(13)10-4-5/h5H,1-4,9H2,(H,10,13)
InChIKeySTYGUKCCMYXRDX-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.83
Rot. Bonds3

About 4-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one

4-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one (PubChem CID 117058529) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 4-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
PubChem CID117058529
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name4-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
SMILESNCCc1noc(C2CNC(=O)C2)n1
InChIInChI=1S/C8H12N4O2/c9-2-1-6-11-8(14-12-6)5-3-7(13)10-4-5/h5H,1-4,9H2,(H,10,13)
InChIKeySTYGUKCCMYXRDX-UHFFFAOYSA-N
XLogP-0.83
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
The IUPAC name of 4-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one (CID 117058529) is 4-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
The canonical SMILES for 4-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one is NCCc1noc(C2CNC(=O)C2)n1.
What is the InChIKey of 4-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
The InChIKey is STYGUKCCMYXRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c9-2-1-6-11-8(14-12-6)5-3-7(13)10-4-5/h5H,1-4,9H2,(H,10,13).
What are the key properties of 4-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
4-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one has a molecular weight of 196.21 g/mol, XLogP of -0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one is sourced from PubChem (CID 117058529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).