2-(4-bromophenyl)-5-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-1,3,4-oxadiazole

C14H8Br2N2OS — CID 127040023

IUPAC2-(4-bromophenyl)-5-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-1,3,4-oxadiazole
SMILESBrc1ccc(-c2nnc(/C=C/c3ccc(Br)s3)o2)cc1
InChIInChI=1S/C14H8Br2N2OS/c15-10-3-1-9(2-4-10)14-18-17-13(19-14)8-6-11-5-7-12(16)20-11/h1-8H/b8-6+
InChIKeyNJMNDJXQEHZYMP-SOFGYWHQSA-N
MW412.11 g/mol
LogP5.49
Rot. Bonds3

About 2-(4-bromophenyl)-5-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-1,3,4-oxadiazole

2-(4-bromophenyl)-5-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-1,3,4-oxadiazole (PubChem CID 127040023) has the molecular formula C14H8Br2N2OS and a molecular weight of 412.11 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-1,3,4-oxadiazole
PubChem CID127040023
Molecular FormulaC14H8Br2N2OS
Molecular Weight412.11 g/mol
Exact Mass409.87
IUPAC Name2-(4-bromophenyl)-5-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-1,3,4-oxadiazole
SMILESBrc1ccc(-c2nnc(/C=C/c3ccc(Br)s3)o2)cc1
InChIInChI=1S/C14H8Br2N2OS/c15-10-3-1-9(2-4-10)14-18-17-13(19-14)8-6-11-5-7-12(16)20-11/h1-8H/b8-6+
InChIKeyNJMNDJXQEHZYMP-SOFGYWHQSA-N
XLogP5.49
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.11
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-bromophenyl)-5-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-1,3,4-oxadiazole (CID 127040023) is 2-(4-bromophenyl)-5-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-bromophenyl)-5-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-bromophenyl)-5-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-1,3,4-oxadiazole is Brc1ccc(-c2nnc(/C=C/c3ccc(Br)s3)o2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-5-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-1,3,4-oxadiazole?
The InChIKey is NJMNDJXQEHZYMP-SOFGYWHQSA-N. The full InChI is InChI=1S/C14H8Br2N2OS/c15-10-3-1-9(2-4-10)14-18-17-13(19-14)8-6-11-5-7-12(16)20-11/h1-8H/b8-6+.
What are the key properties of 2-(4-bromophenyl)-5-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-1,3,4-oxadiazole?
2-(4-bromophenyl)-5-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-1,3,4-oxadiazole has a molecular weight of 412.11 g/mol, XLogP of 5.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 127040023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).