2,2-dimethyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine

C12H16N4O — CID 43470366

IUPAC2,2-dimethyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
SMILESCC(C)(C)C(N)c1nc(-c2ccccn2)no1
InChIInChI=1S/C12H16N4O/c1-12(2,3)9(13)11-15-10(16-17-11)8-6-4-5-7-14-8/h4-7,9H,13H2,1-3H3
InChIKeyJIDFSOIYUIYKDK-UHFFFAOYSA-N
MW232.29 g/mol
LogP2.18
Rot. Bonds2

About 2,2-dimethyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine

2,2-dimethyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine (PubChem CID 43470366) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2,2-dimethyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
PubChem CID43470366
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2,2-dimethyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
SMILESCC(C)(C)C(N)c1nc(-c2ccccn2)no1
InChIInChI=1S/C12H16N4O/c1-12(2,3)9(13)11-15-10(16-17-11)8-6-4-5-7-14-8/h4-7,9H,13H2,1-3H3
InChIKeyJIDFSOIYUIYKDK-UHFFFAOYSA-N
XLogP2.18
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
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 2,2-dimethyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 43096854
phenyl-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 43109480
3-methyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43099782
1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 82736724
2-amino-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 43110252
(1S)-2,2-dimethyl-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 93057373
(1R)-2,2-dimethyl-1-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 104899417
(1S)-2-amino-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 107836639
(1S)-2,2-dimethyl-1-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104899594
(1R)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 94549401
5-[(1R)-1-phenylpropyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 803925
cyclohexyl-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 54901636

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The IUPAC name of 2,2-dimethyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine (CID 43470366) is 2,2-dimethyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The canonical SMILES for 2,2-dimethyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine is CC(C)(C)C(N)c1nc(-c2ccccn2)no1.
What is the InChIKey of 2,2-dimethyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The InChIKey is JIDFSOIYUIYKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-12(2,3)9(13)11-15-10(16-17-11)8-6-4-5-7-14-8/h4-7,9H,13H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
2,2-dimethyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine has a molecular weight of 232.29 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine is sourced from PubChem (CID 43470366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).