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

C15H12BrN3OS — CID 106902657

IUPAC3-(4-bromothiophen-2-yl)-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole
SMILESBrc1csc(-c2noc(C3CNc4ccccc4C3)n2)c1
InChIInChI=1S/C15H12BrN3OS/c16-11-6-13(21-8-11)14-18-15(20-19-14)10-5-9-3-1-2-4-12(9)17-7-10/h1-4,6,8,10,17H,5,7H2
InChIKeyNWWVJGXFIBWNNW-UHFFFAOYSA-N
MW362.25 g/mol
LogP4.31
Rot. Bonds2

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

3-(4-bromothiophen-2-yl)-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole (PubChem CID 106902657) has the molecular formula C15H12BrN3OS and a molecular weight of 362.25 g/mol. Its IUPAC name is 3-(4-bromothiophen-2-yl)-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-bromothiophen-2-yl)-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole
PubChem CID106902657
Molecular FormulaC15H12BrN3OS
Molecular Weight362.25 g/mol
Exact Mass360.99
IUPAC Name3-(4-bromothiophen-2-yl)-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole
SMILESBrc1csc(-c2noc(C3CNc4ccccc4C3)n2)c1
InChIInChI=1S/C15H12BrN3OS/c16-11-6-13(21-8-11)14-18-15(20-19-14)10-5-9-3-1-2-4-12(9)17-7-10/h1-4,6,8,10,17H,5,7H2
InChIKeyNWWVJGXFIBWNNW-UHFFFAOYSA-N
XLogP4.31
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.25
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromothiophen-2-yl)-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-bromothiophen-2-yl)-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole (CID 106902657) is 3-(4-bromothiophen-2-yl)-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-bromothiophen-2-yl)-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-bromothiophen-2-yl)-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole is Brc1csc(-c2noc(C3CNc4ccccc4C3)n2)c1.
What is the InChIKey of 3-(4-bromothiophen-2-yl)-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole?
The InChIKey is NWWVJGXFIBWNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3OS/c16-11-6-13(21-8-11)14-18-15(20-19-14)10-5-9-3-1-2-4-12(9)17-7-10/h1-4,6,8,10,17H,5,7H2.
What are the key properties of 3-(4-bromothiophen-2-yl)-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole?
3-(4-bromothiophen-2-yl)-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole has a molecular weight of 362.25 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromothiophen-2-yl)-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 106902657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).