5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-3-thiophen-2-yl-1,2,4-oxadiazole

C17H16N2O2S — CID 2228311

IUPAC5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESc1csc(-c2noc(COc3ccc4c(c3)CCCC4)n2)c1
InChIInChI=1S/C17H16N2O2S/c1-2-5-13-10-14(8-7-12(13)4-1)20-11-16-18-17(19-21-16)15-6-3-9-22-15/h3,6-10H,1-2,4-5,11H2
InChIKeyIQPZUFWBHXUWBN-UHFFFAOYSA-N
MW312.39 g/mol
LogP4.26
Rot. Bonds4

About 5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-3-thiophen-2-yl-1,2,4-oxadiazole

5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-3-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 2228311) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-3-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-3-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID2228311
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESc1csc(-c2noc(COc3ccc4c(c3)CCCC4)n2)c1
InChIInChI=1S/C17H16N2O2S/c1-2-5-13-10-14(8-7-12(13)4-1)20-11-16-18-17(19-21-16)15-6-3-9-22-15/h3,6-10H,1-2,4-5,11H2
InChIKeyIQPZUFWBHXUWBN-UHFFFAOYSA-N
XLogP4.26
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-3-thiophen-2-yl-1,2,4-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 5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-3-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-3-thiophen-2-yl-1,2,4-oxadiazole (CID 2228311) is 5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-3-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-3-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-3-thiophen-2-yl-1,2,4-oxadiazole is c1csc(-c2noc(COc3ccc4c(c3)CCCC4)n2)c1.
What is the InChIKey of 5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-3-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is IQPZUFWBHXUWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-2-5-13-10-14(8-7-12(13)4-1)20-11-16-18-17(19-21-16)15-6-3-9-22-15/h3,6-10H,1-2,4-5,11H2.
What are the key properties of 5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-3-thiophen-2-yl-1,2,4-oxadiazole?
5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-3-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 312.39 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-3-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 2228311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).