3-(1H-indol-6-yl)-1,2,5-oxadiazole

C10H7N3O — CID 67416448

IUPAC3-(1H-indol-6-yl)-1,2,5-oxadiazole
SMILESc1cc2ccc(-c3cnon3)cc2[nH]1
InChIInChI=1S/C10H7N3O/c1-2-8(10-6-12-14-13-10)5-9-7(1)3-4-11-9/h1-6,11H
InChIKeyXVFBQACACLUQOR-UHFFFAOYSA-N
MW185.19 g/mol
LogP2.22
Rot. Bonds1

About 3-(1H-indol-6-yl)-1,2,5-oxadiazole

3-(1H-indol-6-yl)-1,2,5-oxadiazole (PubChem CID 67416448) has the molecular formula C10H7N3O and a molecular weight of 185.19 g/mol. Its IUPAC name is 3-(1H-indol-6-yl)-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-(1H-indol-6-yl)-1,2,5-oxadiazole
PubChem CID67416448
Molecular FormulaC10H7N3O
Molecular Weight185.19 g/mol
Exact Mass185.06
IUPAC Name3-(1H-indol-6-yl)-1,2,5-oxadiazole
SMILESc1cc2ccc(-c3cnon3)cc2[nH]1
InChIInChI=1S/C10H7N3O/c1-2-8(10-6-12-14-13-10)5-9-7(1)3-4-11-9/h1-6,11H
InChIKeyXVFBQACACLUQOR-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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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-6-yl)-1,2,5-oxadiazole?
The IUPAC name of 3-(1H-indol-6-yl)-1,2,5-oxadiazole (CID 67416448) is 3-(1H-indol-6-yl)-1,2,5-oxadiazole.
What is the SMILES notation for 3-(1H-indol-6-yl)-1,2,5-oxadiazole?
The canonical SMILES for 3-(1H-indol-6-yl)-1,2,5-oxadiazole is c1cc2ccc(-c3cnon3)cc2[nH]1.
What is the InChIKey of 3-(1H-indol-6-yl)-1,2,5-oxadiazole?
The InChIKey is XVFBQACACLUQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O/c1-2-8(10-6-12-14-13-10)5-9-7(1)3-4-11-9/h1-6,11H.
What are the key properties of 3-(1H-indol-6-yl)-1,2,5-oxadiazole?
3-(1H-indol-6-yl)-1,2,5-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-6-yl)-1,2,5-oxadiazole is sourced from PubChem (CID 67416448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).