3-(1-chloroethyl)-5-(2-chlorofuran-3-yl)-1,2,4-oxadiazole

C8H6Cl2N2O2 — CID 106688117

IUPAC3-(1-chloroethyl)-5-(2-chlorofuran-3-yl)-1,2,4-oxadiazole
SMILESCC(Cl)c1noc(-c2ccoc2Cl)n1
InChIInChI=1S/C8H6Cl2N2O2/c1-4(9)7-11-8(14-12-7)5-2-3-13-6(5)10/h2-4H,1H3
InChIKeyJHQLMANPCASQLX-UHFFFAOYSA-N
MW233.05 g/mol
LogP3.28
Rot. Bonds2

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

3-(1-chloroethyl)-5-(2-chlorofuran-3-yl)-1,2,4-oxadiazole (PubChem CID 106688117) has the molecular formula C8H6Cl2N2O2 and a molecular weight of 233.05 g/mol. Its IUPAC name is 3-(1-chloroethyl)-5-(2-chlorofuran-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-chloroethyl)-5-(2-chlorofuran-3-yl)-1,2,4-oxadiazole
PubChem CID106688117
Molecular FormulaC8H6Cl2N2O2
Molecular Weight233.05 g/mol
Exact Mass231.98
IUPAC Name3-(1-chloroethyl)-5-(2-chlorofuran-3-yl)-1,2,4-oxadiazole
SMILESCC(Cl)c1noc(-c2ccoc2Cl)n1
InChIInChI=1S/C8H6Cl2N2O2/c1-4(9)7-11-8(14-12-7)5-2-3-13-6(5)10/h2-4H,1H3
InChIKeyJHQLMANPCASQLX-UHFFFAOYSA-N
XLogP3.28
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.05
LogP ≤ 53.28
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

3-[(1S)-1-chloroethyl]-5-(2-chloro-3-methylphenyl)-1,2,4-oxadiazole
CID 68614441
3-(1-chloroethyl)-5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazole
CID 102660898
3-(1-chloroethyl)-5-(2,4-dibromophenyl)-1,2,4-oxadiazole
CID 107939307
3-(1-chloroethyl)-5-(2,5-difluorophenyl)-1,2,4-oxadiazole
CID 67070739
3-(1-chloroethyl)-5-(2,4-difluorophenyl)-1,2,4-oxadiazole
CID 102661245
5-(4-chloro-2,5-difluorophenyl)-3-(1-chloroethyl)-1,2,4-oxadiazole
CID 102660981
1-[5-(2-chlorofuran-3-yl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine
CID 106689495
1-[5-(2-chlorofuran-3-yl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine
CID 106689497
3-(1-chloroethyl)-5-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazole
CID 107989150
2-[5-(2-chlorofuran-3-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 106689440
3-(1-chloroethyl)-5-(3-methylthiophen-2-yl)-1,2,4-oxadiazole
CID 102661099
1-[5-(2-chlorofuran-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 106689441

Frequently Asked Questions

What is the IUPAC name of 3-(1-chloroethyl)-5-(2-chlorofuran-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-chloroethyl)-5-(2-chlorofuran-3-yl)-1,2,4-oxadiazole (CID 106688117) is 3-(1-chloroethyl)-5-(2-chlorofuran-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-chloroethyl)-5-(2-chlorofuran-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-chloroethyl)-5-(2-chlorofuran-3-yl)-1,2,4-oxadiazole is CC(Cl)c1noc(-c2ccoc2Cl)n1.
What is the InChIKey of 3-(1-chloroethyl)-5-(2-chlorofuran-3-yl)-1,2,4-oxadiazole?
The InChIKey is JHQLMANPCASQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2N2O2/c1-4(9)7-11-8(14-12-7)5-2-3-13-6(5)10/h2-4H,1H3.
What are the key properties of 3-(1-chloroethyl)-5-(2-chlorofuran-3-yl)-1,2,4-oxadiazole?
3-(1-chloroethyl)-5-(2-chlorofuran-3-yl)-1,2,4-oxadiazole has a molecular weight of 233.05 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-chloroethyl)-5-(2-chlorofuran-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 106688117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).