2-(5-bromo-2-ethoxyphenyl)-5-(chloromethyl)-1,3,4-oxadiazole

C11H10BrClN2O2 — CID 54852853

IUPAC2-(5-bromo-2-ethoxyphenyl)-5-(chloromethyl)-1,3,4-oxadiazole
SMILESCCOc1ccc(Br)cc1-c1nnc(CCl)o1
InChIInChI=1S/C11H10BrClN2O2/c1-2-16-9-4-3-7(12)5-8(9)11-15-14-10(6-13)17-11/h3-5H,2,6H2,1H3
InChIKeyHEINXYDOFRMERX-UHFFFAOYSA-N
MW317.57 g/mol
LogP3.64
Rot. Bonds4

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

2-(5-bromo-2-ethoxyphenyl)-5-(chloromethyl)-1,3,4-oxadiazole (PubChem CID 54852853) has the molecular formula C11H10BrClN2O2 and a molecular weight of 317.57 g/mol. Its IUPAC name is 2-(5-bromo-2-ethoxyphenyl)-5-(chloromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(5-bromo-2-ethoxyphenyl)-5-(chloromethyl)-1,3,4-oxadiazole
PubChem CID54852853
Molecular FormulaC11H10BrClN2O2
Molecular Weight317.57 g/mol
Exact Mass315.96
IUPAC Name2-(5-bromo-2-ethoxyphenyl)-5-(chloromethyl)-1,3,4-oxadiazole
SMILESCCOc1ccc(Br)cc1-c1nnc(CCl)o1
InChIInChI=1S/C11H10BrClN2O2/c1-2-16-9-4-3-7(12)5-8(9)11-15-14-10(6-13)17-11/h3-5H,2,6H2,1H3
InChIKeyHEINXYDOFRMERX-UHFFFAOYSA-N
XLogP3.64
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.57
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-bromo-2-hexoxyphenyl)-5-(chloromethyl)-1,3,4-oxadiazole
CID 54852793
2-(5-bromo-2-propan-2-yloxyphenyl)-5-(chloromethyl)-1,3,4-oxadiazole
CID 54852458
2-(5-bromo-2-methoxyphenyl)-5-ethyl-1,3,4-oxadiazole
CID 82184372
2-(4-bromo-2-chlorophenyl)-5-(chloromethyl)-1,3,4-oxadiazole
CID 43805456
2-(2-chloroethyl)-5-(2-ethoxyphenyl)-1,3,4-oxadiazole
CID 39356118
5-(5-bromo-2-ethoxyphenyl)-3-methyl-1,2,4-oxadiazole
CID 175874246
2-(5-bromo-2-methylphenyl)-5-(2-chloroethyl)-1,3,4-oxadiazole
CID 65307879
[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]methanethiol
CID 82159229
4-(5-bromo-2-ethoxyphenyl)-6-chloropyrimidin-2-amine
CID 86004337
[5-(4-bromo-2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 62070230
2-(chloromethyl)-5-[(2-ethoxyphenoxy)methyl]-1,3,4-oxadiazole
CID 39367364
2-(chloromethyl)-5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazole
CID 18070785

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-ethoxyphenyl)-5-(chloromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(5-bromo-2-ethoxyphenyl)-5-(chloromethyl)-1,3,4-oxadiazole (CID 54852853) is 2-(5-bromo-2-ethoxyphenyl)-5-(chloromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(5-bromo-2-ethoxyphenyl)-5-(chloromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(5-bromo-2-ethoxyphenyl)-5-(chloromethyl)-1,3,4-oxadiazole is CCOc1ccc(Br)cc1-c1nnc(CCl)o1.
What is the InChIKey of 2-(5-bromo-2-ethoxyphenyl)-5-(chloromethyl)-1,3,4-oxadiazole?
The InChIKey is HEINXYDOFRMERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2O2/c1-2-16-9-4-3-7(12)5-8(9)11-15-14-10(6-13)17-11/h3-5H,2,6H2,1H3.
What are the key properties of 2-(5-bromo-2-ethoxyphenyl)-5-(chloromethyl)-1,3,4-oxadiazole?
2-(5-bromo-2-ethoxyphenyl)-5-(chloromethyl)-1,3,4-oxadiazole has a molecular weight of 317.57 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-ethoxyphenyl)-5-(chloromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 54852853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).