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

C12H7BrN2OS — CID 747452

IUPAC3-(4-bromophenyl)-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESBrc1ccc(-c2noc(-c3cccs3)n2)cc1
InChIInChI=1S/C12H7BrN2OS/c13-9-5-3-8(4-6-9)11-14-12(16-15-11)10-2-1-7-17-10/h1-7H
InChIKeyZRPAZLXMPZUEMQ-UHFFFAOYSA-N
MW307.17 g/mol
LogP4.23
Rot. Bonds2

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

3-(4-bromophenyl)-5-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 747452) has the molecular formula C12H7BrN2OS and a molecular weight of 307.17 g/mol. Its IUPAC name is 3-(4-bromophenyl)-5-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-bromophenyl)-5-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID747452
Molecular FormulaC12H7BrN2OS
Molecular Weight307.17 g/mol
Exact Mass305.95
IUPAC Name3-(4-bromophenyl)-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESBrc1ccc(-c2noc(-c3cccs3)n2)cc1
InChIInChI=1S/C12H7BrN2OS/c13-9-5-3-8(4-6-9)11-14-12(16-15-11)10-2-1-7-17-10/h1-7H
InChIKeyZRPAZLXMPZUEMQ-UHFFFAOYSA-N
XLogP4.23
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.17
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-5-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(4-bromophenyl)-5-thiophen-2-yl-1,2,4-oxadiazole (CID 747452) is 3-(4-bromophenyl)-5-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-bromophenyl)-5-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-bromophenyl)-5-thiophen-2-yl-1,2,4-oxadiazole is Brc1ccc(-c2noc(-c3cccs3)n2)cc1.
What is the InChIKey of 3-(4-bromophenyl)-5-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is ZRPAZLXMPZUEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrN2OS/c13-9-5-3-8(4-6-9)11-14-12(16-15-11)10-2-1-7-17-10/h1-7H.
What are the key properties of 3-(4-bromophenyl)-5-thiophen-2-yl-1,2,4-oxadiazole?
3-(4-bromophenyl)-5-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 307.17 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-5-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 747452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).