2-bromo-5-(3-bromo-5-chlorophenyl)-1,3,4-oxadiazole

C8H3Br2ClN2O — CID 107944228

IUPAC2-bromo-5-(3-bromo-5-chlorophenyl)-1,3,4-oxadiazole
SMILESClc1cc(Br)cc(-c2nnc(Br)o2)c1
InChIInChI=1S/C8H3Br2ClN2O/c9-5-1-4(2-6(11)3-5)7-12-13-8(10)14-7/h1-3H
InChIKeyJVTPZVAGLBNNKD-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.91
Rot. Bonds1

About 2-bromo-5-(3-bromo-5-chlorophenyl)-1,3,4-oxadiazole

2-bromo-5-(3-bromo-5-chlorophenyl)-1,3,4-oxadiazole (PubChem CID 107944228) has the molecular formula C8H3Br2ClN2O and a molecular weight of 338.39 g/mol. Its IUPAC name is 2-bromo-5-(3-bromo-5-chlorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-bromo-5-(3-bromo-5-chlorophenyl)-1,3,4-oxadiazole
PubChem CID107944228
Molecular FormulaC8H3Br2ClN2O
Molecular Weight338.39 g/mol
Exact Mass335.83
IUPAC Name2-bromo-5-(3-bromo-5-chlorophenyl)-1,3,4-oxadiazole
SMILESClc1cc(Br)cc(-c2nnc(Br)o2)c1
InChIInChI=1S/C8H3Br2ClN2O/c9-5-1-4(2-6(11)3-5)7-12-13-8(10)14-7/h1-3H
InChIKeyJVTPZVAGLBNNKD-UHFFFAOYSA-N
XLogP3.91
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-(4-chlorophenyl)-1,3,4-oxadiazole
CID 70874023
2-[5-(3-bromo-5-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 114018627
4-[5-(3-bromo-5-chlorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 107940452
5-(3-bromo-5-chlorophenyl)-3H-1,3,4-oxadiazole-2-thione
CID 107939328
3-[5-(3-bromo-5-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 107940869
2-(3,5-dibromophenyl)-5-methyl-1,3,4-oxadiazole
CID 104523710
5-(3,5-dibromophenyl)-1,3,4-oxadiazol-2-amine
CID 107971953
5-bromo-2-(3-bromo-5-chlorophenyl)-1,3-benzoxazol-7-amine
CID 107939138
2-(3-chloro-5-methylphenyl)-5-iodo-1,3,4-oxadiazole
CID 114771652
2-bromo-5-(4-bromo-2-chlorophenyl)-1,3,4-oxadiazole
CID 114771099
2-(3-bromo-5-chlorophenyl)-5-chloro-1,3-benzoxazol-6-amine
CID 107939135
2-(3-bromo-5-chlorophenyl)-1,3-benzoxazol-4-amine
CID 114018373

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(3-bromo-5-chlorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-bromo-5-(3-bromo-5-chlorophenyl)-1,3,4-oxadiazole (CID 107944228) is 2-bromo-5-(3-bromo-5-chlorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-bromo-5-(3-bromo-5-chlorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-bromo-5-(3-bromo-5-chlorophenyl)-1,3,4-oxadiazole is Clc1cc(Br)cc(-c2nnc(Br)o2)c1.
What is the InChIKey of 2-bromo-5-(3-bromo-5-chlorophenyl)-1,3,4-oxadiazole?
The InChIKey is JVTPZVAGLBNNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Br2ClN2O/c9-5-1-4(2-6(11)3-5)7-12-13-8(10)14-7/h1-3H.
What are the key properties of 2-bromo-5-(3-bromo-5-chlorophenyl)-1,3,4-oxadiazole?
2-bromo-5-(3-bromo-5-chlorophenyl)-1,3,4-oxadiazole has a molecular weight of 338.39 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(3-bromo-5-chlorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 107944228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).