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

C15H13N3OS — CID 78791086

IUPAC2-(2,3-dihydroindol-1-ylmethyl)-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESc1csc(-c2nnc(CN3CCc4ccccc43)o2)c1
InChIInChI=1S/C15H13N3OS/c1-2-5-12-11(4-1)7-8-18(12)10-14-16-17-15(19-14)13-6-3-9-20-13/h1-6,9H,7-8,10H2
InChIKeyPRBKOCRTNVDSNQ-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.36
Rot. Bonds3

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

2-(2,3-dihydroindol-1-ylmethyl)-5-thiophen-2-yl-1,3,4-oxadiazole (PubChem CID 78791086) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-ylmethyl)-5-thiophen-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-ylmethyl)-5-thiophen-2-yl-1,3,4-oxadiazole
PubChem CID78791086
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name2-(2,3-dihydroindol-1-ylmethyl)-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESc1csc(-c2nnc(CN3CCc4ccccc43)o2)c1
InChIInChI=1S/C15H13N3OS/c1-2-5-12-11(4-1)7-8-18(12)10-14-16-17-15(19-14)13-6-3-9-20-13/h1-6,9H,7-8,10H2
InChIKeyPRBKOCRTNVDSNQ-UHFFFAOYSA-N
XLogP3.36
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2,3-dihydroindol-1-ylmethyl)-5-thiophen-2-yl-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-ylmethyl)-5-thiophen-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(2,3-dihydroindol-1-ylmethyl)-5-thiophen-2-yl-1,3,4-oxadiazole (CID 78791086) is 2-(2,3-dihydroindol-1-ylmethyl)-5-thiophen-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2,3-dihydroindol-1-ylmethyl)-5-thiophen-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(2,3-dihydroindol-1-ylmethyl)-5-thiophen-2-yl-1,3,4-oxadiazole is c1csc(-c2nnc(CN3CCc4ccccc43)o2)c1.
What is the InChIKey of 2-(2,3-dihydroindol-1-ylmethyl)-5-thiophen-2-yl-1,3,4-oxadiazole?
The InChIKey is PRBKOCRTNVDSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-2-5-12-11(4-1)7-8-18(12)10-14-16-17-15(19-14)13-6-3-9-20-13/h1-6,9H,7-8,10H2.
What are the key properties of 2-(2,3-dihydroindol-1-ylmethyl)-5-thiophen-2-yl-1,3,4-oxadiazole?
2-(2,3-dihydroindol-1-ylmethyl)-5-thiophen-2-yl-1,3,4-oxadiazole has a molecular weight of 283.36 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-ylmethyl)-5-thiophen-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 78791086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).