3-methyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine

C12H16N4O — CID 43099782

IUPAC3-methyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
SMILESCC(C)CC(N)c1nc(-c2ccccn2)no1
InChIInChI=1S/C12H16N4O/c1-8(2)7-9(13)12-15-11(16-17-12)10-5-3-4-6-14-10/h3-6,8-9H,7,13H2,1-2H3
InChIKeyOUVYGZVGKKVWFN-UHFFFAOYSA-N
MW232.29 g/mol
LogP2.18
Rot. Bonds4

About 3-methyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine

3-methyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine (PubChem CID 43099782) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-methyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
PubChem CID43099782
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name3-methyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
SMILESCC(C)CC(N)c1nc(-c2ccccn2)no1
InChIInChI=1S/C12H16N4O/c1-8(2)7-9(13)12-15-11(16-17-12)10-5-3-4-6-14-10/h3-6,8-9H,7,13H2,1-2H3
InChIKeyOUVYGZVGKKVWFN-UHFFFAOYSA-N
XLogP2.18
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine 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

2-amino-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 43110252
2-methyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 43096854
2,2-dimethyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 43470366
4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pentanenitrile
CID 106523647
phenyl-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 43109480
(1S)-3-methyl-1-(3-quinoxalin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 104881165
(1S)-2-amino-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 107836639
3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol
CID 63345401
(1R)-1-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 102949718
(1R)-2-(1H-imidazol-5-yl)-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 29282542
5-[(1R)-1-phenylpropyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 803925
5-(3-methylbutyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 154530032

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine?
The IUPAC name of 3-methyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine (CID 43099782) is 3-methyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine.
What is the SMILES notation for 3-methyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine?
The canonical SMILES for 3-methyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine is CC(C)CC(N)c1nc(-c2ccccn2)no1.
What is the InChIKey of 3-methyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine?
The InChIKey is OUVYGZVGKKVWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-8(2)7-9(13)12-15-11(16-17-12)10-5-3-4-6-14-10/h3-6,8-9H,7,13H2,1-2H3.
What are the key properties of 3-methyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine?
3-methyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine has a molecular weight of 232.29 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine is sourced from PubChem (CID 43099782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).