2-(1-methylindol-3-yl)-5-thiophen-2-yl-1,3,4-oxadiazole

C15H11N3OS — CID 857000

IUPAC2-(1-methylindol-3-yl)-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESCn1cc(-c2nnc(-c3cccs3)o2)c2ccccc21
InChIInChI=1S/C15H11N3OS/c1-18-9-11(10-5-2-3-6-12(10)18)14-16-17-15(19-14)13-7-4-8-20-13/h2-9H,1H3
InChIKeyJLQHKTBPVNXCDO-UHFFFAOYSA-N
MW281.34 g/mol
LogP3.96
Rot. Bonds2

About 2-(1-methylindol-3-yl)-5-thiophen-2-yl-1,3,4-oxadiazole

2-(1-methylindol-3-yl)-5-thiophen-2-yl-1,3,4-oxadiazole (PubChem CID 857000) has the molecular formula C15H11N3OS and a molecular weight of 281.34 g/mol. Its IUPAC name is 2-(1-methylindol-3-yl)-5-thiophen-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-methylindol-3-yl)-5-thiophen-2-yl-1,3,4-oxadiazole
PubChem CID857000
Molecular FormulaC15H11N3OS
Molecular Weight281.34 g/mol
Exact Mass281.06
IUPAC Name2-(1-methylindol-3-yl)-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESCn1cc(-c2nnc(-c3cccs3)o2)c2ccccc21
InChIInChI=1S/C15H11N3OS/c1-18-9-11(10-5-2-3-6-12(10)18)14-16-17-15(19-14)13-7-4-8-20-13/h2-9H,1H3
InChIKeyJLQHKTBPVNXCDO-UHFFFAOYSA-N
XLogP3.96
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-3-yl)-5-thiophen-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(1-methylindol-3-yl)-5-thiophen-2-yl-1,3,4-oxadiazole (CID 857000) is 2-(1-methylindol-3-yl)-5-thiophen-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-methylindol-3-yl)-5-thiophen-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-methylindol-3-yl)-5-thiophen-2-yl-1,3,4-oxadiazole is Cn1cc(-c2nnc(-c3cccs3)o2)c2ccccc21.
What is the InChIKey of 2-(1-methylindol-3-yl)-5-thiophen-2-yl-1,3,4-oxadiazole?
The InChIKey is JLQHKTBPVNXCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3OS/c1-18-9-11(10-5-2-3-6-12(10)18)14-16-17-15(19-14)13-7-4-8-20-13/h2-9H,1H3.
What are the key properties of 2-(1-methylindol-3-yl)-5-thiophen-2-yl-1,3,4-oxadiazole?
2-(1-methylindol-3-yl)-5-thiophen-2-yl-1,3,4-oxadiazole has a molecular weight of 281.34 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-3-yl)-5-thiophen-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 857000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).