5-[3-(1-amino-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one

C11H14N4O2 — CID 136966696

IUPAC5-[3-(1-amino-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one
SMILESCC(C)C(N)c1noc(-c2ccc(=O)[nH]c2)n1
InChIInChI=1S/C11H14N4O2/c1-6(2)9(12)10-14-11(17-15-10)7-3-4-8(16)13-5-7/h3-6,9H,12H2,1-2H3,(H,13,16)
InChIKeyPMFRABAELOTMAP-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.08
Rot. Bonds3

About 5-[3-(1-amino-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one

5-[3-(1-amino-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one (PubChem CID 136966696) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 5-[3-(1-amino-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[3-(1-amino-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one
PubChem CID136966696
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name5-[3-(1-amino-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one
SMILESCC(C)C(N)c1noc(-c2ccc(=O)[nH]c2)n1
InChIInChI=1S/C11H14N4O2/c1-6(2)9(12)10-14-11(17-15-10)7-3-4-8(16)13-5-7/h3-6,9H,12H2,1-2H3,(H,13,16)
InChIKeyPMFRABAELOTMAP-UHFFFAOYSA-N
XLogP1.08
TPSA97.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[3-(1-amino-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[3-(1-aminobutyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one
CID 136710759
1-[5-(4-iodophenyl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine
CID 61325232
5-[3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one
CID 136710780
5-(3-iodo-1,2,4-oxadiazol-5-yl)-1H-pyridin-2-one
CID 136710786
2-methyl-1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 61325235
3-[3-(1-amino-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline
CID 61324207
1-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine
CID 63743359
1-[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine
CID 61326268
1-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine
CID 61325023
5-[3-(2-aminobutan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one
CID 136710763
1-[5-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine
CID 107525506
1-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61326439

Frequently Asked Questions

What is the IUPAC name of 5-[3-(1-amino-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one?
The IUPAC name of 5-[3-(1-amino-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one (CID 136966696) is 5-[3-(1-amino-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[3-(1-amino-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one?
The canonical SMILES for 5-[3-(1-amino-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one is CC(C)C(N)c1noc(-c2ccc(=O)[nH]c2)n1.
What is the InChIKey of 5-[3-(1-amino-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one?
The InChIKey is PMFRABAELOTMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-6(2)9(12)10-14-11(17-15-10)7-3-4-8(16)13-5-7/h3-6,9H,12H2,1-2H3,(H,13,16).
What are the key properties of 5-[3-(1-amino-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one?
5-[3-(1-amino-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one has a molecular weight of 234.26 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1-amino-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one is sourced from PubChem (CID 136966696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).