3-[2-(1H-indol-2-yl)ethenyl]-1,2,4-oxadiazole

C12H9N3O — CID 136595527

IUPAC3-[2-(1H-indol-2-yl)ethenyl]-1,2,4-oxadiazole
SMILESC(=Cc1cc2ccccc2[nH]1)c1ncon1
InChIInChI=1S/C12H9N3O/c1-2-4-11-9(3-1)7-10(14-11)5-6-12-13-8-16-15-12/h1-8,14H
InChIKeyVSNPPMRXBJUGAS-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.72
Rot. Bonds2

About 3-[2-(1H-indol-2-yl)ethenyl]-1,2,4-oxadiazole

3-[2-(1H-indol-2-yl)ethenyl]-1,2,4-oxadiazole (PubChem CID 136595527) has the molecular formula C12H9N3O and a molecular weight of 211.22 g/mol. Its IUPAC name is 3-[2-(1H-indol-2-yl)ethenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-(1H-indol-2-yl)ethenyl]-1,2,4-oxadiazole
PubChem CID136595527
Molecular FormulaC12H9N3O
Molecular Weight211.22 g/mol
Exact Mass211.07
IUPAC Name3-[2-(1H-indol-2-yl)ethenyl]-1,2,4-oxadiazole
SMILESC(=Cc1cc2ccccc2[nH]1)c1ncon1
InChIInChI=1S/C12H9N3O/c1-2-4-11-9(3-1)7-10(14-11)5-6-12-13-8-16-15-12/h1-8,14H
InChIKeyVSNPPMRXBJUGAS-UHFFFAOYSA-N
XLogP2.72
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(1-Methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 14810844
N-methyl-2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 14810846
US10660877, Example 734
CID 134329361
US10660877, Example 463
CID 134329644
N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-1-(1H-pyrrol-2-yl)methanimine
CID 135972479
5-butyl-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole
CID 155520345
5-cyclobutyl-3-(1H-indol-5-yl)-1,2,4-oxadiazole
CID 162652608
5-cyclopent-3-en-1-yl-3-(1H-indol-5-yl)-1,2,4-oxadiazole
CID 162667586
N-[[3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 168276547
N-[[3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutanamine
CID 168282102
N-[[3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 168289693
3-(1H-indol-5-yl)-1,2,4-oxadiazole
CID 67417695

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1H-indol-2-yl)ethenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[2-(1H-indol-2-yl)ethenyl]-1,2,4-oxadiazole (CID 136595527) is 3-[2-(1H-indol-2-yl)ethenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-(1H-indol-2-yl)ethenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-(1H-indol-2-yl)ethenyl]-1,2,4-oxadiazole is C(=Cc1cc2ccccc2[nH]1)c1ncon1.
What is the InChIKey of 3-[2-(1H-indol-2-yl)ethenyl]-1,2,4-oxadiazole?
The InChIKey is VSNPPMRXBJUGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O/c1-2-4-11-9(3-1)7-10(14-11)5-6-12-13-8-16-15-12/h1-8,14H.
What are the key properties of 3-[2-(1H-indol-2-yl)ethenyl]-1,2,4-oxadiazole?
3-[2-(1H-indol-2-yl)ethenyl]-1,2,4-oxadiazole has a molecular weight of 211.22 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1H-indol-2-yl)ethenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 136595527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).