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

C8H3Br2ClN2O — CID 114771099

IUPAC2-bromo-5-(4-bromo-2-chlorophenyl)-1,3,4-oxadiazole
SMILESClc1cc(Br)ccc1-c1nnc(Br)o1
InChIInChI=1S/C8H3Br2ClN2O/c9-4-1-2-5(6(11)3-4)7-12-13-8(10)14-7/h1-3H
InChIKeyPVMZNWYYQGAMBP-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.91
Rot. Bonds1

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

2-bromo-5-(4-bromo-2-chlorophenyl)-1,3,4-oxadiazole (PubChem CID 114771099) has the molecular formula C8H3Br2ClN2O and a molecular weight of 338.39 g/mol. Its IUPAC name is 2-bromo-5-(4-bromo-2-chlorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-bromo-5-(4-bromo-2-chlorophenyl)-1,3,4-oxadiazole
PubChem CID114771099
Molecular FormulaC8H3Br2ClN2O
Molecular Weight338.39 g/mol
Exact Mass335.83
IUPAC Name2-bromo-5-(4-bromo-2-chlorophenyl)-1,3,4-oxadiazole
SMILESClc1cc(Br)ccc1-c1nnc(Br)o1
InChIInChI=1S/C8H3Br2ClN2O/c9-4-1-2-5(6(11)3-4)7-12-13-8(10)14-7/h1-3H
InChIKeyPVMZNWYYQGAMBP-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-(4-bromo-2-chlorophenyl)-5-(chloromethyl)-1,3,4-oxadiazole
CID 43805456
[5-(4-bromo-2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 62070230
2-bromo-5-(4-bromo-2-fluorophenyl)-1,3,4-oxadiazole
CID 114771183
2,5-bis(2-chloro-4-methylphenyl)-1,3,4-oxadiazole
CID 59937379
1-[5-(4-bromo-2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
CID 55124542
1-[5-(4-bromo-2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62858787
2-(2,4-dibromophenyl)-5-iodo-1,3,4-oxadiazole
CID 107944229
2-bromo-5-(2-bromo-5-chloro-4-methylphenyl)-1,3,4-oxadiazole
CID 130551272
2-bromo-5-(3-bromo-5-chlorophenyl)-1,3,4-oxadiazole
CID 107944228
2-bromo-5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazole
CID 114771081
[2-(4-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methanamine
CID 65289102
2-bromo-5-(2-bromofuran-3-yl)-1,3,4-oxadiazole
CID 106856548

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(4-bromo-2-chlorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-bromo-5-(4-bromo-2-chlorophenyl)-1,3,4-oxadiazole (CID 114771099) is 2-bromo-5-(4-bromo-2-chlorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-bromo-5-(4-bromo-2-chlorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-bromo-5-(4-bromo-2-chlorophenyl)-1,3,4-oxadiazole is Clc1cc(Br)ccc1-c1nnc(Br)o1.
What is the InChIKey of 2-bromo-5-(4-bromo-2-chlorophenyl)-1,3,4-oxadiazole?
The InChIKey is PVMZNWYYQGAMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Br2ClN2O/c9-4-1-2-5(6(11)3-4)7-12-13-8(10)14-7/h1-3H.
What are the key properties of 2-bromo-5-(4-bromo-2-chlorophenyl)-1,3,4-oxadiazole?
2-bromo-5-(4-bromo-2-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-(4-bromo-2-chlorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 114771099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).