3-(1-chloroethyl)-5-(2,4-dibromophenyl)-1,2,4-oxadiazole

C10H7Br2ClN2O — CID 107939307

IUPAC3-(1-chloroethyl)-5-(2,4-dibromophenyl)-1,2,4-oxadiazole
SMILESCC(Cl)c1noc(-c2ccc(Br)cc2Br)n1
InChIInChI=1S/C10H7Br2ClN2O/c1-5(13)9-14-10(16-15-9)7-3-2-6(11)4-8(7)12/h2-5H,1H3
InChIKeyPSFVZFWKNSPTKR-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.56
Rot. Bonds2

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

3-(1-chloroethyl)-5-(2,4-dibromophenyl)-1,2,4-oxadiazole (PubChem CID 107939307) has the molecular formula C10H7Br2ClN2O and a molecular weight of 366.44 g/mol. Its IUPAC name is 3-(1-chloroethyl)-5-(2,4-dibromophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-chloroethyl)-5-(2,4-dibromophenyl)-1,2,4-oxadiazole
PubChem CID107939307
Molecular FormulaC10H7Br2ClN2O
Molecular Weight366.44 g/mol
Exact Mass363.86
IUPAC Name3-(1-chloroethyl)-5-(2,4-dibromophenyl)-1,2,4-oxadiazole
SMILESCC(Cl)c1noc(-c2ccc(Br)cc2Br)n1
InChIInChI=1S/C10H7Br2ClN2O/c1-5(13)9-14-10(16-15-9)7-3-2-6(11)4-8(7)12/h2-5H,1H3
InChIKeyPSFVZFWKNSPTKR-UHFFFAOYSA-N
XLogP4.56
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.56
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

1-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 107992694
1-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 107989163
3-(1-chloroethyl)-5-(2,4-difluorophenyl)-1,2,4-oxadiazole
CID 102661245
5-(2-bromo-4-fluorophenyl)-3-(1-chloropropyl)-1,2,4-oxadiazole
CID 103095522
[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 107940651
3-(1-chloroethyl)-5-(2-chlorofuran-3-yl)-1,2,4-oxadiazole
CID 106688117
3-(1-chloroethyl)-5-(2,5-difluorophenyl)-1,2,4-oxadiazole
CID 67070739
1-[5-(5-bromo-2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine
CID 61324411
2-cyclobutyloxy-1-[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 107940736
5-(4-bromo-2-methylphenyl)-3-chloro-1,2,4-oxadiazole
CID 112571812
3-(1-chloroethyl)-5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazole
CID 102660898
1-[5-(4-bromo-2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634789

Frequently Asked Questions

What is the IUPAC name of 3-(1-chloroethyl)-5-(2,4-dibromophenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-chloroethyl)-5-(2,4-dibromophenyl)-1,2,4-oxadiazole (CID 107939307) is 3-(1-chloroethyl)-5-(2,4-dibromophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-chloroethyl)-5-(2,4-dibromophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-chloroethyl)-5-(2,4-dibromophenyl)-1,2,4-oxadiazole is CC(Cl)c1noc(-c2ccc(Br)cc2Br)n1.
What is the InChIKey of 3-(1-chloroethyl)-5-(2,4-dibromophenyl)-1,2,4-oxadiazole?
The InChIKey is PSFVZFWKNSPTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Br2ClN2O/c1-5(13)9-14-10(16-15-9)7-3-2-6(11)4-8(7)12/h2-5H,1H3.
What are the key properties of 3-(1-chloroethyl)-5-(2,4-dibromophenyl)-1,2,4-oxadiazole?
3-(1-chloroethyl)-5-(2,4-dibromophenyl)-1,2,4-oxadiazole has a molecular weight of 366.44 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-chloroethyl)-5-(2,4-dibromophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 107939307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).