2-(5,6,7,8-tetrahydroquinolin-4-yl)-1,3,4-oxadiazole

C11H11N3O — CID 142635435

IUPAC2-(5,6,7,8-tetrahydroquinolin-4-yl)-1,3,4-oxadiazole
SMILESc1cc(-c2nnco2)c2c(n1)CCCC2
InChIInChI=1S/C11H11N3O/c1-2-4-10-8(3-1)9(5-6-12-10)11-14-13-7-15-11/h5-7H,1-4H2
InChIKeyJEVODXNYTGDQST-UHFFFAOYSA-N
MW201.23 g/mol
LogP2.01
Rot. Bonds1

About 2-(5,6,7,8-tetrahydroquinolin-4-yl)-1,3,4-oxadiazole

2-(5,6,7,8-tetrahydroquinolin-4-yl)-1,3,4-oxadiazole (PubChem CID 142635435) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-(5,6,7,8-tetrahydroquinolin-4-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(5,6,7,8-tetrahydroquinolin-4-yl)-1,3,4-oxadiazole
PubChem CID142635435
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name2-(5,6,7,8-tetrahydroquinolin-4-yl)-1,3,4-oxadiazole
SMILESc1cc(-c2nnco2)c2c(n1)CCCC2
InChIInChI=1S/C11H11N3O/c1-2-4-10-8(3-1)9(5-6-12-10)11-14-13-7-15-11/h5-7H,1-4H2
InChIKeyJEVODXNYTGDQST-UHFFFAOYSA-N
XLogP2.01
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6,7,8-tetrahydroquinolin-4-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(5,6,7,8-tetrahydroquinolin-4-yl)-1,3,4-oxadiazole (CID 142635435) is 2-(5,6,7,8-tetrahydroquinolin-4-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(5,6,7,8-tetrahydroquinolin-4-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(5,6,7,8-tetrahydroquinolin-4-yl)-1,3,4-oxadiazole is c1cc(-c2nnco2)c2c(n1)CCCC2.
What is the InChIKey of 2-(5,6,7,8-tetrahydroquinolin-4-yl)-1,3,4-oxadiazole?
The InChIKey is JEVODXNYTGDQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-2-4-10-8(3-1)9(5-6-12-10)11-14-13-7-15-11/h5-7H,1-4H2.
What are the key properties of 2-(5,6,7,8-tetrahydroquinolin-4-yl)-1,3,4-oxadiazole?
2-(5,6,7,8-tetrahydroquinolin-4-yl)-1,3,4-oxadiazole has a molecular weight of 201.23 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6,7,8-tetrahydroquinolin-4-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 142635435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).