3-(1-chloropropyl)-5-(2,6-dichlorophenyl)-1,2,4-oxadiazole

C11H9Cl3N2O — CID 103095565

IUPAC3-(1-chloropropyl)-5-(2,6-dichlorophenyl)-1,2,4-oxadiazole
SMILESCCC(Cl)c1noc(-c2c(Cl)cccc2Cl)n1
InChIInChI=1S/C11H9Cl3N2O/c1-2-6(12)10-15-11(17-16-10)9-7(13)4-3-5-8(9)14/h3-6H,2H2,1H3
InChIKeyLZBPNSWXLBMFDH-UHFFFAOYSA-N
MW291.56 g/mol
LogP4.73
Rot. Bonds3

About 3-(1-chloropropyl)-5-(2,6-dichlorophenyl)-1,2,4-oxadiazole

3-(1-chloropropyl)-5-(2,6-dichlorophenyl)-1,2,4-oxadiazole (PubChem CID 103095565) has the molecular formula C11H9Cl3N2O and a molecular weight of 291.56 g/mol. Its IUPAC name is 3-(1-chloropropyl)-5-(2,6-dichlorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-chloropropyl)-5-(2,6-dichlorophenyl)-1,2,4-oxadiazole
PubChem CID103095565
Molecular FormulaC11H9Cl3N2O
Molecular Weight291.56 g/mol
Exact Mass289.98
IUPAC Name3-(1-chloropropyl)-5-(2,6-dichlorophenyl)-1,2,4-oxadiazole
SMILESCCC(Cl)c1noc(-c2c(Cl)cccc2Cl)n1
InChIInChI=1S/C11H9Cl3N2O/c1-2-6(12)10-15-11(17-16-10)9-7(13)4-3-5-8(9)14/h3-6H,2H2,1H3
InChIKeyLZBPNSWXLBMFDH-UHFFFAOYSA-N
XLogP4.73
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.56
LogP ≤ 54.73
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

3-(1-chloropropyl)-5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole
CID 103095388
3-(1-chloropropyl)-5-(2-methylsulfanylphenyl)-1,2,4-oxadiazole
CID 103095546
5-(3-bromophenyl)-3-(1-chloropropyl)-1,2,4-oxadiazole
CID 103095340
5-(3-chloro-4-methylphenyl)-3-(1-chloropropyl)-1,2,4-oxadiazole
CID 103095689
5-(4-bromo-2,6-difluorophenyl)-3-(1-chloropropyl)-1,2,4-oxadiazole
CID 103095497
1-[5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096104
1-[5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 107099594
3-chloro-5-(2,6-dichlorophenyl)-1,2,4-oxadiazole
CID 112572079
1-[5-(2-chloro-6-nitrophenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 63659524
3-(1-chloropropyl)-5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazole
CID 103095483
5-(2-bromo-4-fluorophenyl)-3-(1-chloropropyl)-1,2,4-oxadiazole
CID 103095522
5-(2,6-dichlorophenyl)-3-methylsulfanyl-1,2,4-oxadiazole
CID 4097294

Frequently Asked Questions

What is the IUPAC name of 3-(1-chloropropyl)-5-(2,6-dichlorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-chloropropyl)-5-(2,6-dichlorophenyl)-1,2,4-oxadiazole (CID 103095565) is 3-(1-chloropropyl)-5-(2,6-dichlorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-chloropropyl)-5-(2,6-dichlorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-chloropropyl)-5-(2,6-dichlorophenyl)-1,2,4-oxadiazole is CCC(Cl)c1noc(-c2c(Cl)cccc2Cl)n1.
What is the InChIKey of 3-(1-chloropropyl)-5-(2,6-dichlorophenyl)-1,2,4-oxadiazole?
The InChIKey is LZBPNSWXLBMFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl3N2O/c1-2-6(12)10-15-11(17-16-10)9-7(13)4-3-5-8(9)14/h3-6H,2H2,1H3.
What are the key properties of 3-(1-chloropropyl)-5-(2,6-dichlorophenyl)-1,2,4-oxadiazole?
3-(1-chloropropyl)-5-(2,6-dichlorophenyl)-1,2,4-oxadiazole has a molecular weight of 291.56 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-chloropropyl)-5-(2,6-dichlorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 103095565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).