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

C11H14N4O2 — CID 82896734

IUPAC1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]ethyl]pyridin-2-one
SMILESCc1noc(CNCCn2ccccc2=O)n1
InChIInChI=1S/C11H14N4O2/c1-9-13-10(17-14-9)8-12-5-7-15-6-3-2-4-11(15)16/h2-4,6,12H,5,7-8H2,1H3
InChIKeyUAJFOEDGHQSCLB-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.33
Rot. Bonds5

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

1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]ethyl]pyridin-2-one (PubChem CID 82896734) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]ethyl]pyridin-2-one
PubChem CID82896734
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]ethyl]pyridin-2-one
SMILESCc1noc(CNCCn2ccccc2=O)n1
InChIInChI=1S/C11H14N4O2/c1-9-13-10(17-14-9)8-12-5-7-15-6-3-2-4-11(15)16/h2-4,6,12H,5,7-8H2,1H3
InChIKeyUAJFOEDGHQSCLB-UHFFFAOYSA-N
XLogP0.33
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.33
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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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]ethyl]pyridin-2-one (CID 82896734) is 1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]ethyl]pyridin-2-one is Cc1noc(CNCCn2ccccc2=O)n1.
What is the InChIKey of 1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]ethyl]pyridin-2-one?
The InChIKey is UAJFOEDGHQSCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-9-13-10(17-14-9)8-12-5-7-15-6-3-2-4-11(15)16/h2-4,6,12H,5,7-8H2,1H3.
What are the key properties of 1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]ethyl]pyridin-2-one?
1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]ethyl]pyridin-2-one has a molecular weight of 234.26 g/mol, XLogP of 0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]ethyl]pyridin-2-one is sourced from PubChem (CID 82896734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).