3-(1-methylindol-3-yl)-1,2,4-oxadiazole

C11H9N3O — CID 23126987

IUPAC3-(1-methylindol-3-yl)-1,2,4-oxadiazole
SMILESCn1cc(-c2ncon2)c2ccccc21
InChIInChI=1S/C11H9N3O/c1-14-6-9(11-12-7-15-13-11)8-4-2-3-5-10(8)14/h2-7H,1H3
InChIKeyKTAISARRQFGFHU-UHFFFAOYSA-N
MW199.21 g/mol
LogP2.23
Rot. Bonds1

About 3-(1-methylindol-3-yl)-1,2,4-oxadiazole

3-(1-methylindol-3-yl)-1,2,4-oxadiazole (PubChem CID 23126987) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is 3-(1-methylindol-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-methylindol-3-yl)-1,2,4-oxadiazole
PubChem CID23126987
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC Name3-(1-methylindol-3-yl)-1,2,4-oxadiazole
SMILESCn1cc(-c2ncon2)c2ccccc21
InChIInChI=1S/C11H9N3O/c1-14-6-9(11-12-7-15-13-11)8-4-2-3-5-10(8)14/h2-7H,1H3
InChIKeyKTAISARRQFGFHU-UHFFFAOYSA-N
XLogP2.23
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Ethyl-3-imidazol-1-ylmethyl-1H-indole
CID 10331244
Trimethyl-[[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]azanium iodide
CID 9978162
3-(1-Methylindol-3-yl)-5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole
CID 9818162
N,N-dimethyl-1-[3-(1-methyl-3-indolyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 9921349
3-(1-Methylindol-3-yl)-5-(1-methylpiperidin-3-yl)-1,2,4-oxadiazole
CID 14810796
3-(1-Methylindol-3-yl)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 14810798
5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole
CID 14810800
5-(1,1-Dimethylpiperidin-1-ium-3-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole iodide
CID 14810818
5-(1,1-Dimethylpiperidin-1-ium-4-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole iodide
CID 14810820
[3-(1-Methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 14810832
3-(1-Methylindol-3-yl)-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole
CID 14810834
N-methyl-1-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 14810842

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylindol-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-methylindol-3-yl)-1,2,4-oxadiazole (CID 23126987) is 3-(1-methylindol-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-methylindol-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-methylindol-3-yl)-1,2,4-oxadiazole is Cn1cc(-c2ncon2)c2ccccc21.
What is the InChIKey of 3-(1-methylindol-3-yl)-1,2,4-oxadiazole?
The InChIKey is KTAISARRQFGFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c1-14-6-9(11-12-7-15-13-11)8-4-2-3-5-10(8)14/h2-7H,1H3.
What are the key properties of 3-(1-methylindol-3-yl)-1,2,4-oxadiazole?
3-(1-methylindol-3-yl)-1,2,4-oxadiazole has a molecular weight of 199.21 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylindol-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 23126987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).