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

C14H8BrClN2OS — CID 9042291

IUPAC2-(5-bromothiophen-2-yl)-5-[(Z)-1-chloro-2-phenylethenyl]-1,3,4-oxadiazole
SMILESCl/C(=C\c1ccccc1)c1nnc(-c2ccc(Br)s2)o1
InChIInChI=1S/C14H8BrClN2OS/c15-12-7-6-11(20-12)14-18-17-13(19-14)10(16)8-9-4-2-1-3-5-9/h1-8H/b10-8-
InChIKeyAVFYUKXKPURMKO-NTMALXAHSA-N
MW367.66 g/mol
LogP5.30
Rot. Bonds3

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

2-(5-bromothiophen-2-yl)-5-[(Z)-1-chloro-2-phenylethenyl]-1,3,4-oxadiazole (PubChem CID 9042291) has the molecular formula C14H8BrClN2OS and a molecular weight of 367.66 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-5-[(Z)-1-chloro-2-phenylethenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-5-[(Z)-1-chloro-2-phenylethenyl]-1,3,4-oxadiazole
PubChem CID9042291
Molecular FormulaC14H8BrClN2OS
Molecular Weight367.66 g/mol
Exact Mass365.92
IUPAC Name2-(5-bromothiophen-2-yl)-5-[(Z)-1-chloro-2-phenylethenyl]-1,3,4-oxadiazole
SMILESCl/C(=C\c1ccccc1)c1nnc(-c2ccc(Br)s2)o1
InChIInChI=1S/C14H8BrClN2OS/c15-12-7-6-11(20-12)14-18-17-13(19-14)10(16)8-9-4-2-1-3-5-9/h1-8H/b10-8-
InChIKeyAVFYUKXKPURMKO-NTMALXAHSA-N
XLogP5.30
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.66
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(5-bromothiophen-2-yl)-5-[(Z)-1-chloro-2-phenylethenyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

2-(5-bromothiophen-2-yl)-5-[(Z)-1-chloro-2-(4-methylphenyl)ethenyl]-1,3,4-oxadiazole
CID 9042295
2-(5-bromothiophen-2-yl)-5-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-1,3,4-oxadiazole
CID 9042302
ethyl 5-(5-bromothiophen-2-yl)-1,3,4-oxadiazole-2-carboxylate
CID 112685416
4-[(Z)-2-chloro-2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethenyl]-N,N-diethylaniline
CID 8727097
5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazole-2-carboxylic acid
CID 112619407
[4-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-phenylmethanone
CID 38903601
N-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-2-fluorobenzamide
CID 42110867
2-[(Z)-1-chloro-2-(3-fluorophenyl)ethenyl]-5-(4-chlorophenyl)-1,3,4-oxadiazole
CID 9446940
2-[(Z)-1-chloro-2-(4-nitrophenyl)ethenyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole
CID 9031723
4-[(Z)-2-chloro-2-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]ethenyl]benzoic acid
CID 9040934
2-[4-[(Z)-2-chloro-2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethenyl]-2-methoxyphenoxy]acetonitrile
CID 9447355
N-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 60685576

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-5-[(Z)-1-chloro-2-phenylethenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(5-bromothiophen-2-yl)-5-[(Z)-1-chloro-2-phenylethenyl]-1,3,4-oxadiazole (CID 9042291) is 2-(5-bromothiophen-2-yl)-5-[(Z)-1-chloro-2-phenylethenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-5-[(Z)-1-chloro-2-phenylethenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-5-[(Z)-1-chloro-2-phenylethenyl]-1,3,4-oxadiazole is Cl/C(=C\c1ccccc1)c1nnc(-c2ccc(Br)s2)o1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-5-[(Z)-1-chloro-2-phenylethenyl]-1,3,4-oxadiazole?
The InChIKey is AVFYUKXKPURMKO-NTMALXAHSA-N. The full InChI is InChI=1S/C14H8BrClN2OS/c15-12-7-6-11(20-12)14-18-17-13(19-14)10(16)8-9-4-2-1-3-5-9/h1-8H/b10-8-.
What are the key properties of 2-(5-bromothiophen-2-yl)-5-[(Z)-1-chloro-2-phenylethenyl]-1,3,4-oxadiazole?
2-(5-bromothiophen-2-yl)-5-[(Z)-1-chloro-2-phenylethenyl]-1,3,4-oxadiazole has a molecular weight of 367.66 g/mol, XLogP of 5.30, 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-phenylethenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 9042291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).