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

C14H9BrN2OS — CID 127038193

IUPAC2-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-5-phenyl-1,3,4-oxadiazole
SMILESBrc1ccc(/C=C/c2nnc(-c3ccccc3)o2)s1
InChIInChI=1S/C14H9BrN2OS/c15-12-8-6-11(19-12)7-9-13-16-17-14(18-13)10-4-2-1-3-5-10/h1-9H/b9-7+
InChIKeyGKCAONYBCODZLY-VQHVLOKHSA-N
MW333.21 g/mol
LogP4.73
Rot. Bonds3

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

2-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 127038193) has the molecular formula C14H9BrN2OS and a molecular weight of 333.21 g/mol. Its IUPAC name is 2-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID127038193
Molecular FormulaC14H9BrN2OS
Molecular Weight333.21 g/mol
Exact Mass331.96
IUPAC Name2-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-5-phenyl-1,3,4-oxadiazole
SMILESBrc1ccc(/C=C/c2nnc(-c3ccccc3)o2)s1
InChIInChI=1S/C14H9BrN2OS/c15-12-8-6-11(19-12)7-9-13-16-17-14(18-13)10-4-2-1-3-5-10/h1-9H/b9-7+
InChIKeyGKCAONYBCODZLY-VQHVLOKHSA-N
XLogP4.73
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.21
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-5-phenyl-1,3,4-oxadiazole (CID 127038193) is 2-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-5-phenyl-1,3,4-oxadiazole is Brc1ccc(/C=C/c2nnc(-c3ccccc3)o2)s1.
What is the InChIKey of 2-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is GKCAONYBCODZLY-VQHVLOKHSA-N. The full InChI is InChI=1S/C14H9BrN2OS/c15-12-8-6-11(19-12)7-9-13-16-17-14(18-13)10-4-2-1-3-5-10/h1-9H/b9-7+.
What are the key properties of 2-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-5-phenyl-1,3,4-oxadiazole?
2-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 333.21 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 127038193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).