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

C11H10BrClN2O — CID 65307879

IUPAC2-(5-bromo-2-methylphenyl)-5-(2-chloroethyl)-1,3,4-oxadiazole
SMILESCc1ccc(Br)cc1-c1nnc(CCCl)o1
InChIInChI=1S/C11H10BrClN2O/c1-7-2-3-8(12)6-9(7)11-15-14-10(16-11)4-5-13/h2-3,6H,4-5H2,1H3
InChIKeyGIVQGNSLIKRGCR-UHFFFAOYSA-N
MW301.57 g/mol
LogP3.59
Rot. Bonds3

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

2-(5-bromo-2-methylphenyl)-5-(2-chloroethyl)-1,3,4-oxadiazole (PubChem CID 65307879) has the molecular formula C11H10BrClN2O and a molecular weight of 301.57 g/mol. Its IUPAC name is 2-(5-bromo-2-methylphenyl)-5-(2-chloroethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(5-bromo-2-methylphenyl)-5-(2-chloroethyl)-1,3,4-oxadiazole
PubChem CID65307879
Molecular FormulaC11H10BrClN2O
Molecular Weight301.57 g/mol
Exact Mass299.97
IUPAC Name2-(5-bromo-2-methylphenyl)-5-(2-chloroethyl)-1,3,4-oxadiazole
SMILESCc1ccc(Br)cc1-c1nnc(CCCl)o1
InChIInChI=1S/C11H10BrClN2O/c1-7-2-3-8(12)6-9(7)11-15-14-10(16-11)4-5-13/h2-3,6H,4-5H2,1H3
InChIKeyGIVQGNSLIKRGCR-UHFFFAOYSA-N
XLogP3.59
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.57
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-[5-(5-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 65309448
2-(3-chloropropyl)-5-(2,5-dimethylphenyl)-1,3,4-oxadiazole
CID 43513368
2-(2-chloroethyl)-5-(3-methyl-4-pyridinyl)-1,3,4-oxadiazole
CID 130516109
2-[5-(5-bromo-2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 55043927
2-(2-chloroethyl)-5-(2,6-dimethyl-3-pyridinyl)-1,3,4-oxadiazole
CID 62830773
2-[5-(2,5-dibromophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 114375433
2-(2-chloroethyl)-5-(5-methyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole
CID 43513256
2-(4-bromo-2-chlorophenyl)-5-(chloromethyl)-1,3,4-oxadiazole
CID 43805456
2-[5-(5-chloro-2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 82891184
2-(5-bromo-2-ethoxyphenyl)-5-(chloromethyl)-1,3,4-oxadiazole
CID 54852853
2-(5-bromo-2-propan-2-yloxyphenyl)-5-(chloromethyl)-1,3,4-oxadiazole
CID 54852458
2-[5-(4-bromo-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 113296187

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methylphenyl)-5-(2-chloroethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(5-bromo-2-methylphenyl)-5-(2-chloroethyl)-1,3,4-oxadiazole (CID 65307879) is 2-(5-bromo-2-methylphenyl)-5-(2-chloroethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(5-bromo-2-methylphenyl)-5-(2-chloroethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(5-bromo-2-methylphenyl)-5-(2-chloroethyl)-1,3,4-oxadiazole is Cc1ccc(Br)cc1-c1nnc(CCCl)o1.
What is the InChIKey of 2-(5-bromo-2-methylphenyl)-5-(2-chloroethyl)-1,3,4-oxadiazole?
The InChIKey is GIVQGNSLIKRGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2O/c1-7-2-3-8(12)6-9(7)11-15-14-10(16-11)4-5-13/h2-3,6H,4-5H2,1H3.
What are the key properties of 2-(5-bromo-2-methylphenyl)-5-(2-chloroethyl)-1,3,4-oxadiazole?
2-(5-bromo-2-methylphenyl)-5-(2-chloroethyl)-1,3,4-oxadiazole has a molecular weight of 301.57 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methylphenyl)-5-(2-chloroethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 65307879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).