3-(4-bromo-5-methylthiophen-2-yl)-5-cyclobutyl-1,2,4-oxadiazole

C11H11BrN2OS — CID 165486283

IUPAC3-(4-bromo-5-methylthiophen-2-yl)-5-cyclobutyl-1,2,4-oxadiazole
SMILESCc1sc(-c2noc(C3CCC3)n2)cc1Br
InChIInChI=1S/C11H11BrN2OS/c1-6-8(12)5-9(16-6)10-13-11(15-14-10)7-3-2-4-7/h5,7H,2-4H2,1H3
InChIKeyPAZXKGQMUAOIHV-UHFFFAOYSA-N
MW299.19 g/mol
LogP4.14
Rot. Bonds2

About 3-(4-bromo-5-methylthiophen-2-yl)-5-cyclobutyl-1,2,4-oxadiazole

3-(4-bromo-5-methylthiophen-2-yl)-5-cyclobutyl-1,2,4-oxadiazole (PubChem CID 165486283) has the molecular formula C11H11BrN2OS and a molecular weight of 299.19 g/mol. Its IUPAC name is 3-(4-bromo-5-methylthiophen-2-yl)-5-cyclobutyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-bromo-5-methylthiophen-2-yl)-5-cyclobutyl-1,2,4-oxadiazole
PubChem CID165486283
Molecular FormulaC11H11BrN2OS
Molecular Weight299.19 g/mol
Exact Mass297.98
IUPAC Name3-(4-bromo-5-methylthiophen-2-yl)-5-cyclobutyl-1,2,4-oxadiazole
SMILESCc1sc(-c2noc(C3CCC3)n2)cc1Br
InChIInChI=1S/C11H11BrN2OS/c1-6-8(12)5-9(16-6)10-13-11(15-14-10)7-3-2-4-7/h5,7H,2-4H2,1H3
InChIKeyPAZXKGQMUAOIHV-UHFFFAOYSA-N
XLogP4.14
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.19
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-5-methylthiophen-2-yl)-5-cyclobutyl-1,2,4-oxadiazole?
The IUPAC name of 3-(4-bromo-5-methylthiophen-2-yl)-5-cyclobutyl-1,2,4-oxadiazole (CID 165486283) is 3-(4-bromo-5-methylthiophen-2-yl)-5-cyclobutyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-bromo-5-methylthiophen-2-yl)-5-cyclobutyl-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-bromo-5-methylthiophen-2-yl)-5-cyclobutyl-1,2,4-oxadiazole is Cc1sc(-c2noc(C3CCC3)n2)cc1Br.
What is the InChIKey of 3-(4-bromo-5-methylthiophen-2-yl)-5-cyclobutyl-1,2,4-oxadiazole?
The InChIKey is PAZXKGQMUAOIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2OS/c1-6-8(12)5-9(16-6)10-13-11(15-14-10)7-3-2-4-7/h5,7H,2-4H2,1H3.
What are the key properties of 3-(4-bromo-5-methylthiophen-2-yl)-5-cyclobutyl-1,2,4-oxadiazole?
3-(4-bromo-5-methylthiophen-2-yl)-5-cyclobutyl-1,2,4-oxadiazole has a molecular weight of 299.19 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-5-methylthiophen-2-yl)-5-cyclobutyl-1,2,4-oxadiazole is sourced from PubChem (CID 165486283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).