3-amino-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-2-one

C8H12N4O2 — CID 106402267

IUPAC3-amino-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-2-one
SMILESNC1CCN(CCc2ncon2)C1=O
InChIInChI=1S/C8H12N4O2/c9-6-1-3-12(8(6)13)4-2-7-10-5-14-11-7/h5-6H,1-4,9H2
InChIKeyUGAYLIJBVXDJLZ-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.83
Rot. Bonds3

About 3-amino-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-2-one

3-amino-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-2-one (PubChem CID 106402267) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 3-amino-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-amino-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-2-one
PubChem CID106402267
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name3-amino-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-2-one
SMILESNC1CCN(CCc2ncon2)C1=O
InChIInChI=1S/C8H12N4O2/c9-6-1-3-12(8(6)13)4-2-7-10-5-14-11-7/h5-6H,1-4,9H2
InChIKeyUGAYLIJBVXDJLZ-UHFFFAOYSA-N
XLogP-0.83
TPSA85.25 Ų
H-Bond Donors1
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 ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-2-one?
The IUPAC name of 3-amino-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-2-one (CID 106402267) is 3-amino-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 3-amino-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 3-amino-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-2-one is NC1CCN(CCc2ncon2)C1=O.
What is the InChIKey of 3-amino-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-2-one?
The InChIKey is UGAYLIJBVXDJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c9-6-1-3-12(8(6)13)4-2-7-10-5-14-11-7/h5-6H,1-4,9H2.
What are the key properties of 3-amino-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-2-one?
3-amino-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-2-one has a molecular weight of 196.21 g/mol, XLogP of -0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 106402267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).