3-amino-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-2-one

C9H14N4O2 — CID 106418197

IUPAC3-amino-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-2-one
SMILESCc1nc(CCN2CCC(N)C2=O)no1
InChIInChI=1S/C9H14N4O2/c1-6-11-8(12-15-6)3-5-13-4-2-7(10)9(13)14/h7H,2-5,10H2,1H3
InChIKeyAJOKNJPJWJGZRG-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.52
Rot. Bonds3

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

3-amino-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-2-one (PubChem CID 106418197) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 3-amino-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-amino-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-2-one
PubChem CID106418197
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name3-amino-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-2-one
SMILESCc1nc(CCN2CCC(N)C2=O)no1
InChIInChI=1S/C9H14N4O2/c1-6-11-8(12-15-6)3-5-13-4-2-7(10)9(13)14/h7H,2-5,10H2,1H3
InChIKeyAJOKNJPJWJGZRG-UHFFFAOYSA-N
XLogP-0.52
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(methylamino)-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-2-one
CID 114186711
3-amino-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-2-one
CID 106402267
3-ethyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1,4-diazepane-2,5-dione
CID 106421910
3-amino-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-2-one
CID 106421356
3-bromo-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-one
CID 106408238
9-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one
CID 106421134
2-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine
CID 106418175
3-methyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 106421935
(3R)-3-amino-1-(2-phenylethyl)pyrrolidin-2-one
CID 11096743
3-(methylamino)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-one
CID 106408287
3-amino-1-(4-methylpentyl)pyrrolidin-2-one
CID 63004038
N-ethyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine
CID 106418172

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-2-one?
The IUPAC name of 3-amino-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-2-one (CID 106418197) is 3-amino-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 3-amino-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 3-amino-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-2-one is Cc1nc(CCN2CCC(N)C2=O)no1.
What is the InChIKey of 3-amino-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-2-one?
The InChIKey is AJOKNJPJWJGZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-6-11-8(12-15-6)3-5-13-4-2-7(10)9(13)14/h7H,2-5,10H2,1H3.
What are the key properties of 3-amino-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-2-one?
3-amino-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-2-one has a molecular weight of 210.24 g/mol, XLogP of -0.52, 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-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 106418197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).