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

C14H8Br2N2OS — CID 127038180

IUPAC2-(3-bromophenyl)-5-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-1,3,4-oxadiazole
SMILESBrc1cccc(-c2nnc(/C=C/c3ccc(Br)s3)o2)c1
InChIInChI=1S/C14H8Br2N2OS/c15-10-3-1-2-9(8-10)14-18-17-13(19-14)7-5-11-4-6-12(16)20-11/h1-8H/b7-5+
InChIKeyIPWIDZWJUDNSSG-FNORWQNLSA-N
MW412.11 g/mol
LogP5.49
Rot. Bonds3

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

2-(3-bromophenyl)-5-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-1,3,4-oxadiazole (PubChem CID 127038180) has the molecular formula C14H8Br2N2OS and a molecular weight of 412.11 g/mol. Its IUPAC name is 2-(3-bromophenyl)-5-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-bromophenyl)-5-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-1,3,4-oxadiazole
PubChem CID127038180
Molecular FormulaC14H8Br2N2OS
Molecular Weight412.11 g/mol
Exact Mass409.87
IUPAC Name2-(3-bromophenyl)-5-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-1,3,4-oxadiazole
SMILESBrc1cccc(-c2nnc(/C=C/c3ccc(Br)s3)o2)c1
InChIInChI=1S/C14H8Br2N2OS/c15-10-3-1-2-9(8-10)14-18-17-13(19-14)7-5-11-4-6-12(16)20-11/h1-8H/b7-5+
InChIKeyIPWIDZWJUDNSSG-FNORWQNLSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-5-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(3-bromophenyl)-5-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-1,3,4-oxadiazole (CID 127038180) is 2-(3-bromophenyl)-5-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-bromophenyl)-5-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-bromophenyl)-5-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-1,3,4-oxadiazole is Brc1cccc(-c2nnc(/C=C/c3ccc(Br)s3)o2)c1.
What is the InChIKey of 2-(3-bromophenyl)-5-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-1,3,4-oxadiazole?
The InChIKey is IPWIDZWJUDNSSG-FNORWQNLSA-N. The full InChI is InChI=1S/C14H8Br2N2OS/c15-10-3-1-2-9(8-10)14-18-17-13(19-14)7-5-11-4-6-12(16)20-11/h1-8H/b7-5+.
What are the key properties of 2-(3-bromophenyl)-5-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-1,3,4-oxadiazole?
2-(3-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-(3-bromophenyl)-5-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 127038180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).