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

C10H6BrClN2O — CID 115565464

IUPAC3-(3-bromo-4-chlorophenyl)-5-ethenyl-1,2,4-oxadiazole
SMILESC=Cc1nc(-c2ccc(Cl)c(Br)c2)no1
InChIInChI=1S/C10H6BrClN2O/c1-2-9-13-10(14-15-9)6-3-4-8(12)7(11)5-6/h2-5H,1H2
InChIKeyWQYWBDDJSMJGGO-UHFFFAOYSA-N
MW285.53 g/mol
LogP3.80
Rot. Bonds2

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

3-(3-bromo-4-chlorophenyl)-5-ethenyl-1,2,4-oxadiazole (PubChem CID 115565464) has the molecular formula C10H6BrClN2O and a molecular weight of 285.53 g/mol. Its IUPAC name is 3-(3-bromo-4-chlorophenyl)-5-ethenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-bromo-4-chlorophenyl)-5-ethenyl-1,2,4-oxadiazole
PubChem CID115565464
Molecular FormulaC10H6BrClN2O
Molecular Weight285.53 g/mol
Exact Mass283.94
IUPAC Name3-(3-bromo-4-chlorophenyl)-5-ethenyl-1,2,4-oxadiazole
SMILESC=Cc1nc(-c2ccc(Cl)c(Br)c2)no1
InChIInChI=1S/C10H6BrClN2O/c1-2-9-13-10(14-15-9)6-3-4-8(12)7(11)5-6/h2-5H,1H2
InChIKeyWQYWBDDJSMJGGO-UHFFFAOYSA-N
XLogP3.80
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.53
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dichlorophenyl)-5-ethenyl-1,2,4-oxadiazole
CID 81491984
5-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 107706897
3-(3,4-dichlorophenyl)-1,2,4-oxadiazole-5-carbaldehyde
CID 81492192
2-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115565498
3-[5-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 103844013
(1S)-2-amino-1-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 107837210
3-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 115565665
2-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 115565472
3-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136928478
3-(3-bromo-4-chlorophenyl)-5-[chloro(phenyl)methyl]-1,2,4-oxadiazole
CID 115565461
2-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-chlorophenol
CID 136920369
3-(3-bromo-4-chlorophenyl)-N-propyl-1,2,4-oxadiazol-5-amine
CID 115568404

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-chlorophenyl)-5-ethenyl-1,2,4-oxadiazole?
The IUPAC name of 3-(3-bromo-4-chlorophenyl)-5-ethenyl-1,2,4-oxadiazole (CID 115565464) is 3-(3-bromo-4-chlorophenyl)-5-ethenyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-bromo-4-chlorophenyl)-5-ethenyl-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-bromo-4-chlorophenyl)-5-ethenyl-1,2,4-oxadiazole is C=Cc1nc(-c2ccc(Cl)c(Br)c2)no1.
What is the InChIKey of 3-(3-bromo-4-chlorophenyl)-5-ethenyl-1,2,4-oxadiazole?
The InChIKey is WQYWBDDJSMJGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClN2O/c1-2-9-13-10(14-15-9)6-3-4-8(12)7(11)5-6/h2-5H,1H2.
What are the key properties of 3-(3-bromo-4-chlorophenyl)-5-ethenyl-1,2,4-oxadiazole?
3-(3-bromo-4-chlorophenyl)-5-ethenyl-1,2,4-oxadiazole has a molecular weight of 285.53 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-chlorophenyl)-5-ethenyl-1,2,4-oxadiazole is sourced from PubChem (CID 115565464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).