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

C12H11BrN6O — CID 107496324

IUPAC2-[4-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine
SMILESNCCn1cnc(-c2nc(-c3cncc(Br)c3)no2)c1
InChIInChI=1S/C12H11BrN6O/c13-9-3-8(4-15-5-9)11-17-12(20-18-11)10-6-19(2-1-14)7-16-10/h3-7H,1-2,14H2
InChIKeyTZEPYROHPZAIGV-UHFFFAOYSA-N
MW335.17 g/mol
LogP1.72
Rot. Bonds4

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

2-[4-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine (PubChem CID 107496324) has the molecular formula C12H11BrN6O and a molecular weight of 335.17 g/mol. Its IUPAC name is 2-[4-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine
PubChem CID107496324
Molecular FormulaC12H11BrN6O
Molecular Weight335.17 g/mol
Exact Mass334.02
IUPAC Name2-[4-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine
SMILESNCCn1cnc(-c2nc(-c3cncc(Br)c3)no2)c1
InChIInChI=1S/C12H11BrN6O/c13-9-3-8(4-15-5-9)11-17-12(20-18-11)10-6-19(2-1-14)7-16-10/h3-7H,1-2,14H2
InChIKeyTZEPYROHPZAIGV-UHFFFAOYSA-N
XLogP1.72
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.17
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)imidazol-1-yl]ethanamine
CID 107496057
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
5-[1-(2-aminoethyl)imidazol-4-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 107496445
2-[4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine
CID 107496402
2-[4-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine
CID 107496465
2-[4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)imidazol-1-yl]ethanamine
CID 107496449
2-[4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine
CID 107496065
2-[4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine
CID 107496193
(1S)-2-amino-1-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 107837133
4-[[5-[1-(2-aminoethyl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]methyl]phenol
CID 107496062

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine?
The IUPAC name of 2-[4-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine (CID 107496324) is 2-[4-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine.
What is the SMILES notation for 2-[4-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine?
The canonical SMILES for 2-[4-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine is NCCn1cnc(-c2nc(-c3cncc(Br)c3)no2)c1.
What is the InChIKey of 2-[4-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine?
The InChIKey is TZEPYROHPZAIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN6O/c13-9-3-8(4-15-5-9)11-17-12(20-18-11)10-6-19(2-1-14)7-16-10/h3-7H,1-2,14H2.
What are the key properties of 2-[4-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine?
2-[4-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine has a molecular weight of 335.17 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine is sourced from PubChem (CID 107496324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).