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

C15H13N3OS — CID 43325498

IUPAC5-(1,2,3,4-tetrahydroquinolin-6-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESc1csc(-c2noc(-c3ccc4c(c3)CCCN4)n2)c1
InChIInChI=1S/C15H13N3OS/c1-3-10-9-11(5-6-12(10)16-7-1)15-17-14(18-19-15)13-4-2-8-20-13/h2,4-6,8-9,16H,1,3,7H2
InChIKeyFQTIQAZPCCHASL-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.82
Rot. Bonds2

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

5-(1,2,3,4-tetrahydroquinolin-6-yl)-3-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 43325498) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 5-(1,2,3,4-tetrahydroquinolin-6-yl)-3-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1,2,3,4-tetrahydroquinolin-6-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID43325498
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name5-(1,2,3,4-tetrahydroquinolin-6-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESc1csc(-c2noc(-c3ccc4c(c3)CCCN4)n2)c1
InChIInChI=1S/C15H13N3OS/c1-3-10-9-11(5-6-12(10)16-7-1)15-17-14(18-19-15)13-4-2-8-20-13/h2,4-6,8-9,16H,1,3,7H2
InChIKeyFQTIQAZPCCHASL-UHFFFAOYSA-N
XLogP3.82
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,3-dihydro-1H-indol-5-yl)-3-phenyl-1,2,4-oxadiazole
CID 43325507
5-(2,3-dihydro-1H-indol-5-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole
CID 43622149
3-(3-bromophenyl)-5-(2,3-dihydro-1H-indol-5-yl)-1,2,4-oxadiazole
CID 43325515
2-amino-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenol
CID 137004902
2-amino-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenol
CID 60837408
5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-diamine
CID 107811588
5-(4-methoxyphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 718725
N-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)aniline
CID 104698799
2-methyl-4-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-thiazole
CID 20983466
7-thiophen-2-yl-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 165354572
6-thiophen-3-yl-1,2,3,4-tetrahydroquinoline
CID 23004941
5-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline
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Frequently Asked Questions

What is the IUPAC name of 5-(1,2,3,4-tetrahydroquinolin-6-yl)-3-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(1,2,3,4-tetrahydroquinolin-6-yl)-3-thiophen-2-yl-1,2,4-oxadiazole (CID 43325498) is 5-(1,2,3,4-tetrahydroquinolin-6-yl)-3-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1,2,3,4-tetrahydroquinolin-6-yl)-3-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(1,2,3,4-tetrahydroquinolin-6-yl)-3-thiophen-2-yl-1,2,4-oxadiazole is c1csc(-c2noc(-c3ccc4c(c3)CCCN4)n2)c1.
What is the InChIKey of 5-(1,2,3,4-tetrahydroquinolin-6-yl)-3-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is FQTIQAZPCCHASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-3-10-9-11(5-6-12(10)16-7-1)15-17-14(18-19-15)13-4-2-8-20-13/h2,4-6,8-9,16H,1,3,7H2.
What are the key properties of 5-(1,2,3,4-tetrahydroquinolin-6-yl)-3-thiophen-2-yl-1,2,4-oxadiazole?
5-(1,2,3,4-tetrahydroquinolin-6-yl)-3-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 283.36 g/mol, XLogP of 3.82, 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-6-yl)-3-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 43325498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).