3-bromo-5-[1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazole

C10H8BrClN2O2 — CID 112571524

IUPAC3-bromo-5-[1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazole
SMILESCC(Oc1cccc(Cl)c1)c1nc(Br)no1
InChIInChI=1S/C10H8BrClN2O2/c1-6(9-13-10(11)14-16-9)15-8-4-2-3-7(12)5-8/h2-6H,1H3
InChIKeyCPQLQKWRVZAQFC-UHFFFAOYSA-N
MW303.54 g/mol
LogP3.63
Rot. Bonds3

About 3-bromo-5-[1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazole

3-bromo-5-[1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazole (PubChem CID 112571524) has the molecular formula C10H8BrClN2O2 and a molecular weight of 303.54 g/mol. Its IUPAC name is 3-bromo-5-[1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-bromo-5-[1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazole
PubChem CID112571524
Molecular FormulaC10H8BrClN2O2
Molecular Weight303.54 g/mol
Exact Mass301.95
IUPAC Name3-bromo-5-[1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazole
SMILESCC(Oc1cccc(Cl)c1)c1nc(Br)no1
InChIInChI=1S/C10H8BrClN2O2/c1-6(9-13-10(11)14-16-9)15-8-4-2-3-7(12)5-8/h2-6H,1H3
InChIKeyCPQLQKWRVZAQFC-UHFFFAOYSA-N
XLogP3.63
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.54
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-bromophenyl)-5-[(1R)-1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazole
CID 1313859
2-[5-[1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 62228931
1-[5-[1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
CID 62228746
5-[(1R)-1-(3-chlorophenoxy)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 895311
1-[5-[1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120865529
5-[(1S)-1-(3-chlorophenoxy)ethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 7385204
5-[(1S)-1-(3-chlorophenoxy)ethyl]-3-pyridazin-3-yl-1,2,4-oxadiazole
CID 96571111
5-[1-(3-chlorophenoxy)ethyl]-3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
CID 53012119
5-[1-(3,4-dichlorophenoxy)ethyl]-3-methyl-1,2,4-oxadiazole
CID 134040196
2-[1-(3-chlorophenoxy)ethyl]-4-methyl-1H-benzimidazole
CID 64724117
2-[1-(3-chlorophenoxy)ethyl]-1H-benzimidazole
CID 55052996
5-[1-(3-methylphenoxy)ethyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 6472807

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-bromo-5-[1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazole (CID 112571524) is 3-bromo-5-[1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-bromo-5-[1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-bromo-5-[1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazole is CC(Oc1cccc(Cl)c1)c1nc(Br)no1.
What is the InChIKey of 3-bromo-5-[1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazole?
The InChIKey is CPQLQKWRVZAQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2O2/c1-6(9-13-10(11)14-16-9)15-8-4-2-3-7(12)5-8/h2-6H,1H3.
What are the key properties of 3-bromo-5-[1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazole?
3-bromo-5-[1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazole has a molecular weight of 303.54 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 112571524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).