2-(5-bromothiophen-2-yl)-5-[(Z)-1-chloro-2-(4-methylphenyl)ethenyl]-1,3,4-oxadiazole

C15H10BrClN2OS — CID 9042295

IUPAC2-(5-bromothiophen-2-yl)-5-[(Z)-1-chloro-2-(4-methylphenyl)ethenyl]-1,3,4-oxadiazole
SMILESCc1ccc(/C=C(\Cl)c2nnc(-c3ccc(Br)s3)o2)cc1
InChIInChI=1S/C15H10BrClN2OS/c1-9-2-4-10(5-3-9)8-11(17)14-18-19-15(20-14)12-6-7-13(16)21-12/h2-8H,1H3/b11-8-
InChIKeyXCOIHFSEBCMKIA-FLIBITNWSA-N
MW381.68 g/mol
LogP5.61
Rot. Bonds3

About 2-(5-bromothiophen-2-yl)-5-[(Z)-1-chloro-2-(4-methylphenyl)ethenyl]-1,3,4-oxadiazole

2-(5-bromothiophen-2-yl)-5-[(Z)-1-chloro-2-(4-methylphenyl)ethenyl]-1,3,4-oxadiazole (PubChem CID 9042295) has the molecular formula C15H10BrClN2OS and a molecular weight of 381.68 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-5-[(Z)-1-chloro-2-(4-methylphenyl)ethenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-5-[(Z)-1-chloro-2-(4-methylphenyl)ethenyl]-1,3,4-oxadiazole
PubChem CID9042295
Molecular FormulaC15H10BrClN2OS
Molecular Weight381.68 g/mol
Exact Mass379.94
IUPAC Name2-(5-bromothiophen-2-yl)-5-[(Z)-1-chloro-2-(4-methylphenyl)ethenyl]-1,3,4-oxadiazole
SMILESCc1ccc(/C=C(\Cl)c2nnc(-c3ccc(Br)s3)o2)cc1
InChIInChI=1S/C15H10BrClN2OS/c1-9-2-4-10(5-3-9)8-11(17)14-18-19-15(20-14)12-6-7-13(16)21-12/h2-8H,1H3/b11-8-
InChIKeyXCOIHFSEBCMKIA-FLIBITNWSA-N
XLogP5.61
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.68
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-5-[(Z)-1-chloro-2-(4-methylphenyl)ethenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(5-bromothiophen-2-yl)-5-[(Z)-1-chloro-2-(4-methylphenyl)ethenyl]-1,3,4-oxadiazole (CID 9042295) is 2-(5-bromothiophen-2-yl)-5-[(Z)-1-chloro-2-(4-methylphenyl)ethenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-5-[(Z)-1-chloro-2-(4-methylphenyl)ethenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-5-[(Z)-1-chloro-2-(4-methylphenyl)ethenyl]-1,3,4-oxadiazole is Cc1ccc(/C=C(\Cl)c2nnc(-c3ccc(Br)s3)o2)cc1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-5-[(Z)-1-chloro-2-(4-methylphenyl)ethenyl]-1,3,4-oxadiazole?
The InChIKey is XCOIHFSEBCMKIA-FLIBITNWSA-N. The full InChI is InChI=1S/C15H10BrClN2OS/c1-9-2-4-10(5-3-9)8-11(17)14-18-19-15(20-14)12-6-7-13(16)21-12/h2-8H,1H3/b11-8-.
What are the key properties of 2-(5-bromothiophen-2-yl)-5-[(Z)-1-chloro-2-(4-methylphenyl)ethenyl]-1,3,4-oxadiazole?
2-(5-bromothiophen-2-yl)-5-[(Z)-1-chloro-2-(4-methylphenyl)ethenyl]-1,3,4-oxadiazole has a molecular weight of 381.68 g/mol, XLogP of 5.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-5-[(Z)-1-chloro-2-(4-methylphenyl)ethenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 9042295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).