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

C9H6BrClN2O — CID 114770970

IUPAC2-(2-bromo-5-methylphenyl)-5-chloro-1,3,4-oxadiazole
SMILESCc1ccc(Br)c(-c2nnc(Cl)o2)c1
InChIInChI=1S/C9H6BrClN2O/c1-5-2-3-7(10)6(4-5)8-12-13-9(11)14-8/h2-4H,1H3
InChIKeyQUDBZHMJTVWNST-UHFFFAOYSA-N
MW273.52 g/mol
LogP3.46
Rot. Bonds1

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

2-(2-bromo-5-methylphenyl)-5-chloro-1,3,4-oxadiazole (PubChem CID 114770970) has the molecular formula C9H6BrClN2O and a molecular weight of 273.52 g/mol. Its IUPAC name is 2-(2-bromo-5-methylphenyl)-5-chloro-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-bromo-5-methylphenyl)-5-chloro-1,3,4-oxadiazole
PubChem CID114770970
Molecular FormulaC9H6BrClN2O
Molecular Weight273.52 g/mol
Exact Mass271.94
IUPAC Name2-(2-bromo-5-methylphenyl)-5-chloro-1,3,4-oxadiazole
SMILESCc1ccc(Br)c(-c2nnc(Cl)o2)c1
InChIInChI=1S/C9H6BrClN2O/c1-5-2-3-7(10)6(4-5)8-12-13-9(11)14-8/h2-4H,1H3
InChIKeyQUDBZHMJTVWNST-UHFFFAOYSA-N
XLogP3.46
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.52
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-(2-fluoro-4-methylphenyl)-1,3,4-oxadiazole
CID 114770871
1-[5-(2-bromo-5-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 81117716
2,5-bis(2-chloro-4-methylphenyl)-1,3,4-oxadiazole
CID 59937379
2-(2-bromo-4-methylphenyl)-5-iodo-1,3,4-oxadiazole
CID 114771767
2-bromo-5-(2-bromo-5-chloro-4-methylphenyl)-1,3,4-oxadiazole
CID 130551272
2-chloro-5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazole
CID 114770729
2-chloro-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole
CID 114771038
2-chloro-5-(4-methylthiophen-2-yl)-1,3,4-oxadiazole
CID 130778751
2-chloro-5-(3-methyl-1,2-oxazol-5-yl)-1,3,4-oxadiazole
CID 114770814
N-[[5-(2-bromo-5-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 114026372
2-(3-chloropropyl)-5-(2,5-dimethylphenyl)-1,3,4-oxadiazole
CID 43513368
2-(2,5-dibromo-4-methylphenyl)-5-phenyl-1,3,4-oxadiazole
CID 86008820

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methylphenyl)-5-chloro-1,3,4-oxadiazole?
The IUPAC name of 2-(2-bromo-5-methylphenyl)-5-chloro-1,3,4-oxadiazole (CID 114770970) is 2-(2-bromo-5-methylphenyl)-5-chloro-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-bromo-5-methylphenyl)-5-chloro-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-bromo-5-methylphenyl)-5-chloro-1,3,4-oxadiazole is Cc1ccc(Br)c(-c2nnc(Cl)o2)c1.
What is the InChIKey of 2-(2-bromo-5-methylphenyl)-5-chloro-1,3,4-oxadiazole?
The InChIKey is QUDBZHMJTVWNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClN2O/c1-5-2-3-7(10)6(4-5)8-12-13-9(11)14-8/h2-4H,1H3.
What are the key properties of 2-(2-bromo-5-methylphenyl)-5-chloro-1,3,4-oxadiazole?
2-(2-bromo-5-methylphenyl)-5-chloro-1,3,4-oxadiazole has a molecular weight of 273.52 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methylphenyl)-5-chloro-1,3,4-oxadiazole is sourced from PubChem (CID 114770970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).