1-[2-(1,2,4-oxadiazol-3-ylmethylamino)ethyl]pyridin-2-one

C10H12N4O2 — CID 106398562

IUPAC1-[2-(1,2,4-oxadiazol-3-ylmethylamino)ethyl]pyridin-2-one
SMILESO=c1ccccn1CCNCc1ncon1
InChIInChI=1S/C10H12N4O2/c15-10-3-1-2-5-14(10)6-4-11-7-9-12-8-16-13-9/h1-3,5,8,11H,4,6-7H2
InChIKeyBITKGBZPOGIAEA-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.02
Rot. Bonds5

About 1-[2-(1,2,4-oxadiazol-3-ylmethylamino)ethyl]pyridin-2-one

1-[2-(1,2,4-oxadiazol-3-ylmethylamino)ethyl]pyridin-2-one (PubChem CID 106398562) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 1-[2-(1,2,4-oxadiazol-3-ylmethylamino)ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(1,2,4-oxadiazol-3-ylmethylamino)ethyl]pyridin-2-one
PubChem CID106398562
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name1-[2-(1,2,4-oxadiazol-3-ylmethylamino)ethyl]pyridin-2-one
SMILESO=c1ccccn1CCNCc1ncon1
InChIInChI=1S/C10H12N4O2/c15-10-3-1-2-5-14(10)6-4-11-7-9-12-8-16-13-9/h1-3,5,8,11H,4,6-7H2
InChIKeyBITKGBZPOGIAEA-UHFFFAOYSA-N
XLogP0.02
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-((3-(aminomethyl)-1,2,4-oxadiazol-5-yl)methyl)pyridin-2(1H)-one
CID 91623952
1-(1,2,4-oxadiazol-3-ylmethyl)-6-oxo-N-propan-2-ylpyridine-3-carboxamide
CID 59842897
N-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-6-oxopyridine-3-carboxamide
CID 71051792
5-Bromo-1-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-one
CID 60701005
2-(5-amino-2-oxo-1-pyridinyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 62815838
1-(1,2,4-Oxadiazol-3-ylmethyl)pyrimidine-2,4-dione
CID 63811371
5-(Aminomethyl)-1-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-one
CID 82507025
3-(Aminomethyl)-1-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-one
CID 82507029
1-[2-[(3-Methyl-1,2,4-oxadiazol-5-yl)methylamino]ethyl]pyridin-2-one
CID 82896734
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103765575
2-(5-amino-2-oxo-1-pyridinyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 106391280
2-(5-amino-2-oxo-1-pyridinyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide
CID 106391674

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,2,4-oxadiazol-3-ylmethylamino)ethyl]pyridin-2-one?
The IUPAC name of 1-[2-(1,2,4-oxadiazol-3-ylmethylamino)ethyl]pyridin-2-one (CID 106398562) is 1-[2-(1,2,4-oxadiazol-3-ylmethylamino)ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(1,2,4-oxadiazol-3-ylmethylamino)ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-(1,2,4-oxadiazol-3-ylmethylamino)ethyl]pyridin-2-one is O=c1ccccn1CCNCc1ncon1.
What is the InChIKey of 1-[2-(1,2,4-oxadiazol-3-ylmethylamino)ethyl]pyridin-2-one?
The InChIKey is BITKGBZPOGIAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c15-10-3-1-2-5-14(10)6-4-11-7-9-12-8-16-13-9/h1-3,5,8,11H,4,6-7H2.
What are the key properties of 1-[2-(1,2,4-oxadiazol-3-ylmethylamino)ethyl]pyridin-2-one?
1-[2-(1,2,4-oxadiazol-3-ylmethylamino)ethyl]pyridin-2-one has a molecular weight of 220.23 g/mol, XLogP of 0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,2,4-oxadiazol-3-ylmethylamino)ethyl]pyridin-2-one is sourced from PubChem (CID 106398562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).