2-bromo-5-(2-bromo-5-chloro-4-methylphenyl)-1,3,4-oxadiazole

C9H5Br2ClN2O — CID 130551272

IUPAC2-bromo-5-(2-bromo-5-chloro-4-methylphenyl)-1,3,4-oxadiazole
SMILESCc1cc(Br)c(-c2nnc(Br)o2)cc1Cl
InChIInChI=1S/C9H5Br2ClN2O/c1-4-2-6(10)5(3-7(4)12)8-13-14-9(11)15-8/h2-3H,1H3
InChIKeyFAGAREGJNMBNBB-UHFFFAOYSA-N
MW352.41 g/mol
LogP4.22
Rot. Bonds1

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

2-bromo-5-(2-bromo-5-chloro-4-methylphenyl)-1,3,4-oxadiazole (PubChem CID 130551272) has the molecular formula C9H5Br2ClN2O and a molecular weight of 352.41 g/mol. Its IUPAC name is 2-bromo-5-(2-bromo-5-chloro-4-methylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-bromo-5-(2-bromo-5-chloro-4-methylphenyl)-1,3,4-oxadiazole
PubChem CID130551272
Molecular FormulaC9H5Br2ClN2O
Molecular Weight352.41 g/mol
Exact Mass349.85
IUPAC Name2-bromo-5-(2-bromo-5-chloro-4-methylphenyl)-1,3,4-oxadiazole
SMILESCc1cc(Br)c(-c2nnc(Br)o2)cc1Cl
InChIInChI=1S/C9H5Br2ClN2O/c1-4-2-6(10)5(3-7(4)12)8-13-14-9(11)15-8/h2-3H,1H3
InChIKeyFAGAREGJNMBNBB-UHFFFAOYSA-N
XLogP4.22
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-(4-bromo-2-chlorophenyl)-1,3,4-oxadiazole
CID 114771099
2-bromo-5-(5-methyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole
CID 114771182
2-(2-bromo-5-methylphenyl)-5-chloro-1,3,4-oxadiazole
CID 114770970
2-bromo-5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazole
CID 114771109
2-(2,5-dibromo-4-methylphenyl)-5-phenyl-1,3,4-oxadiazole
CID 86008820
2-bromo-5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazole
CID 114771081
2-(2-bromo-4-methylphenyl)-5-iodo-1,3,4-oxadiazole
CID 114771767
2-bromo-5-(3-bromo-5-chlorophenyl)-1,3,4-oxadiazole
CID 107944228
1-[5-(2-bromo-5-chloro-4-methylphenyl)furan-2-yl]propan-2-ol
CID 104725052
2-bromo-5-(2-bromofuran-3-yl)-1,3,4-oxadiazole
CID 106856548
2-bromo-5-(4-chlorophenyl)-1,3,4-oxadiazole
CID 70874023
N-[[5-(2-bromo-5-chloro-4-methylphenyl)furan-2-yl]methyl]ethanamine
CID 104724948

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(2-bromo-5-chloro-4-methylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-bromo-5-(2-bromo-5-chloro-4-methylphenyl)-1,3,4-oxadiazole (CID 130551272) is 2-bromo-5-(2-bromo-5-chloro-4-methylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-bromo-5-(2-bromo-5-chloro-4-methylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-bromo-5-(2-bromo-5-chloro-4-methylphenyl)-1,3,4-oxadiazole is Cc1cc(Br)c(-c2nnc(Br)o2)cc1Cl.
What is the InChIKey of 2-bromo-5-(2-bromo-5-chloro-4-methylphenyl)-1,3,4-oxadiazole?
The InChIKey is FAGAREGJNMBNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Br2ClN2O/c1-4-2-6(10)5(3-7(4)12)8-13-14-9(11)15-8/h2-3H,1H3.
What are the key properties of 2-bromo-5-(2-bromo-5-chloro-4-methylphenyl)-1,3,4-oxadiazole?
2-bromo-5-(2-bromo-5-chloro-4-methylphenyl)-1,3,4-oxadiazole has a molecular weight of 352.41 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(2-bromo-5-chloro-4-methylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 130551272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).