2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)imidazol-1-yl]ethanamine

C12H12N6O — CID 107496057

IUPAC2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)imidazol-1-yl]ethanamine
SMILESNCCn1cnc(-c2nc(-c3cccnc3)no2)c1
InChIInChI=1S/C12H12N6O/c13-3-5-18-7-10(15-8-18)12-16-11(17-19-12)9-2-1-4-14-6-9/h1-2,4,6-8H,3,5,13H2
InChIKeyGFBIIWWHEUOEKL-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.95
Rot. Bonds4

About 2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)imidazol-1-yl]ethanamine

2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)imidazol-1-yl]ethanamine (PubChem CID 107496057) has the molecular formula C12H12N6O and a molecular weight of 256.27 g/mol. Its IUPAC name is 2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)imidazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)imidazol-1-yl]ethanamine
PubChem CID107496057
Molecular FormulaC12H12N6O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)imidazol-1-yl]ethanamine
SMILESNCCn1cnc(-c2nc(-c3cccnc3)no2)c1
InChIInChI=1S/C12H12N6O/c13-3-5-18-7-10(15-8-18)12-16-11(17-19-12)9-2-1-4-14-6-9/h1-2,4,6-8H,3,5,13H2
InChIKeyGFBIIWWHEUOEKL-UHFFFAOYSA-N
XLogP0.95
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine
CID 107496324
2-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine
CID 107496109
4-[5-[1-(2-aminoethyl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]benzene-1,2-diol
CID 136888881
2-[4-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine
CID 107496326
4-(4-pyridin-3-ylimidazol-1-yl)butan-1-amine;trihydrochloride
CID 44604268
2-[4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine
CID 107496402
[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanamine
CID 114324869
2-[4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine
CID 107496193
5-[1-(2-aminoethyl)imidazol-4-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 107496445
2-[4-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine
CID 107496465
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrazin-2-amine
CID 63260210
3-[1-(2-chloroethyl)imidazol-4-yl]pyridine
CID 22715654

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)imidazol-1-yl]ethanamine?
The IUPAC name of 2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)imidazol-1-yl]ethanamine (CID 107496057) is 2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)imidazol-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)imidazol-1-yl]ethanamine?
The canonical SMILES for 2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)imidazol-1-yl]ethanamine is NCCn1cnc(-c2nc(-c3cccnc3)no2)c1.
What is the InChIKey of 2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)imidazol-1-yl]ethanamine?
The InChIKey is GFBIIWWHEUOEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O/c13-3-5-18-7-10(15-8-18)12-16-11(17-19-12)9-2-1-4-14-6-9/h1-2,4,6-8H,3,5,13H2.
What are the key properties of 2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)imidazol-1-yl]ethanamine?
2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)imidazol-1-yl]ethanamine has a molecular weight of 256.27 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)imidazol-1-yl]ethanamine is sourced from PubChem (CID 107496057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).