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

C10H7N3O — CID 135841304

IUPAC3-(1H-indol-2-yl)-1,2,4-oxadiazole
SMILESc1ccc2[nH]c(-c3ncon3)cc2c1
InChIInChI=1S/C10H7N3O/c1-2-4-8-7(3-1)5-9(12-8)10-11-6-14-13-10/h1-6,12H
InChIKeyMSVYQRSYYSFRSN-UHFFFAOYSA-N
MW185.19 g/mol
LogP2.22
Rot. Bonds1

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

3-(1H-indol-2-yl)-1,2,4-oxadiazole (PubChem CID 135841304) has the molecular formula C10H7N3O and a molecular weight of 185.19 g/mol. Its IUPAC name is 3-(1H-indol-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1H-indol-2-yl)-1,2,4-oxadiazole
PubChem CID135841304
Molecular FormulaC10H7N3O
Molecular Weight185.19 g/mol
Exact Mass185.06
IUPAC Name3-(1H-indol-2-yl)-1,2,4-oxadiazole
SMILESc1ccc2[nH]c(-c3ncon3)cc2c1
InChIInChI=1S/C10H7N3O/c1-2-4-8-7(3-1)5-9(12-8)10-11-6-14-13-10/h1-6,12H
InChIKeyMSVYQRSYYSFRSN-UHFFFAOYSA-N
XLogP2.22
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

US10660877, Example 735
CID 134329843
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-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
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-(1H-indol-4-ylmethyl)ethanamine
CID 77078857
2,3-Dimethyl-7-{[4-(1,2,4-oxadiazol-3-YL)piperidin-1-YL]methyl}-1H-indole
CID 77097556

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1H-indol-2-yl)-1,2,4-oxadiazole (CID 135841304) is 3-(1H-indol-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1H-indol-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1H-indol-2-yl)-1,2,4-oxadiazole is c1ccc2[nH]c(-c3ncon3)cc2c1.
What is the InChIKey of 3-(1H-indol-2-yl)-1,2,4-oxadiazole?
The InChIKey is MSVYQRSYYSFRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O/c1-2-4-8-7(3-1)5-9(12-8)10-11-6-14-13-10/h1-6,12H.
What are the key properties of 3-(1H-indol-2-yl)-1,2,4-oxadiazole?
3-(1H-indol-2-yl)-1,2,4-oxadiazole has a molecular weight of 185.19 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 135841304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).