5-(1,2,3,4-tetrahydroquinolin-3-yl)-3-(thiolan-2-yl)-1,2,4-oxadiazole

C15H17N3OS — CID 106902692

IUPAC5-(1,2,3,4-tetrahydroquinolin-3-yl)-3-(thiolan-2-yl)-1,2,4-oxadiazole
SMILESc1ccc2c(c1)CC(c1nc(C3CCCS3)no1)CN2
InChIInChI=1S/C15H17N3OS/c1-2-5-12-10(4-1)8-11(9-16-12)15-17-14(18-19-15)13-6-3-7-20-13/h1-2,4-5,11,13,16H,3,6-9H2
InChIKeyYWZRIEDJTXYDAW-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.39
Rot. Bonds2

About 5-(1,2,3,4-tetrahydroquinolin-3-yl)-3-(thiolan-2-yl)-1,2,4-oxadiazole

5-(1,2,3,4-tetrahydroquinolin-3-yl)-3-(thiolan-2-yl)-1,2,4-oxadiazole (PubChem CID 106902692) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 5-(1,2,3,4-tetrahydroquinolin-3-yl)-3-(thiolan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1,2,3,4-tetrahydroquinolin-3-yl)-3-(thiolan-2-yl)-1,2,4-oxadiazole
PubChem CID106902692
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name5-(1,2,3,4-tetrahydroquinolin-3-yl)-3-(thiolan-2-yl)-1,2,4-oxadiazole
SMILESc1ccc2c(c1)CC(c1nc(C3CCCS3)no1)CN2
InChIInChI=1S/C15H17N3OS/c1-2-5-12-10(4-1)8-11(9-16-12)15-17-14(18-19-15)13-6-3-7-20-13/h1-2,4-5,11,13,16H,3,6-9H2
InChIKeyYWZRIEDJTXYDAW-UHFFFAOYSA-N
XLogP3.39
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1,2,3,4-tetrahydroquinolin-3-yl)-3-(thiolan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(1,2,3,4-tetrahydroquinolin-3-yl)-3-(thiolan-2-yl)-1,2,4-oxadiazole (CID 106902692) is 5-(1,2,3,4-tetrahydroquinolin-3-yl)-3-(thiolan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1,2,3,4-tetrahydroquinolin-3-yl)-3-(thiolan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(1,2,3,4-tetrahydroquinolin-3-yl)-3-(thiolan-2-yl)-1,2,4-oxadiazole is c1ccc2c(c1)CC(c1nc(C3CCCS3)no1)CN2.
What is the InChIKey of 5-(1,2,3,4-tetrahydroquinolin-3-yl)-3-(thiolan-2-yl)-1,2,4-oxadiazole?
The InChIKey is YWZRIEDJTXYDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-2-5-12-10(4-1)8-11(9-16-12)15-17-14(18-19-15)13-6-3-7-20-13/h1-2,4-5,11,13,16H,3,6-9H2.
What are the key properties of 5-(1,2,3,4-tetrahydroquinolin-3-yl)-3-(thiolan-2-yl)-1,2,4-oxadiazole?
5-(1,2,3,4-tetrahydroquinolin-3-yl)-3-(thiolan-2-yl)-1,2,4-oxadiazole has a molecular weight of 287.39 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,3,4-tetrahydroquinolin-3-yl)-3-(thiolan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 106902692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).