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

C8H12N4O2 — CID 117058525

IUPAC5-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
SMILESNCCc1noc(C2CCC(=O)N2)n1
InChIInChI=1S/C8H12N4O2/c9-4-3-6-11-8(14-12-6)5-1-2-7(13)10-5/h5H,1-4,9H2,(H,10,13)
InChIKeyYHCSSYNYQBXKOY-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.48
Rot. Bonds3

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

5-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one (PubChem CID 117058525) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 5-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
PubChem CID117058525
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name5-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
SMILESNCCc1noc(C2CCC(=O)N2)n1
InChIInChI=1S/C8H12N4O2/c9-4-3-6-11-8(14-12-6)5-1-2-7(13)10-5/h5H,1-4,9H2,(H,10,13)
InChIKeyYHCSSYNYQBXKOY-UHFFFAOYSA-N
XLogP-0.48
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 ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 117058529
5-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 128922331
2-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 115077901
5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 107436079
[3-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-cyclopropylmethanone
CID 99727776
2-[5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 113433999
5-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 107436810
2-(3-propyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-one
CID 63344281
2-[5-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 62720048
5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 107435925
2-[5-(2,3-dihydro-1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 79206528
5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 107436173

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
The IUPAC name of 5-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one (CID 117058525) is 5-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one.
What is the SMILES notation for 5-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
The canonical SMILES for 5-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one is NCCc1noc(C2CCC(=O)N2)n1.
What is the InChIKey of 5-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
The InChIKey is YHCSSYNYQBXKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c9-4-3-6-11-8(14-12-6)5-1-2-7(13)10-5/h5H,1-4,9H2,(H,10,13).
What are the key properties of 5-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
5-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one has a molecular weight of 196.21 g/mol, XLogP of -0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one is sourced from PubChem (CID 117058525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).