2-(chloromethyl)-5-(3-chloropropyl)-1,3,4-oxadiazole

C6H8Cl2N2O — CID 54852620

IUPAC2-(chloromethyl)-5-(3-chloropropyl)-1,3,4-oxadiazole
SMILESClCCCc1nnc(CCl)o1
InChIInChI=1S/C6H8Cl2N2O/c7-3-1-2-5-9-10-6(4-8)11-5/h1-4H2
InChIKeyJQAPXDXFSQZLBH-UHFFFAOYSA-N
MW195.05 g/mol
LogP1.98
Rot. Bonds4

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

2-(chloromethyl)-5-(3-chloropropyl)-1,3,4-oxadiazole (PubChem CID 54852620) has the molecular formula C6H8Cl2N2O and a molecular weight of 195.05 g/mol. Its IUPAC name is 2-(chloromethyl)-5-(3-chloropropyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-(3-chloropropyl)-1,3,4-oxadiazole
PubChem CID54852620
Molecular FormulaC6H8Cl2N2O
Molecular Weight195.05 g/mol
Exact Mass194.00
IUPAC Name2-(chloromethyl)-5-(3-chloropropyl)-1,3,4-oxadiazole
SMILESClCCCc1nnc(CCl)o1
InChIInChI=1S/C6H8Cl2N2O/c7-3-1-2-5-9-10-6(4-8)11-5/h1-4H2
InChIKeyJQAPXDXFSQZLBH-UHFFFAOYSA-N
XLogP1.98
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.05
LogP ≤ 51.98
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

2-(3-chloropropyl)-5-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazole
CID 62505329
2-(3-chloropropyl)-5-pentan-3-yl-1,3,4-oxadiazole
CID 43513337
2-(2-chloroethyl)-5-nonyl-1,3,4-oxadiazole
CID 65448728
2-(3-chloropropyl)-5-[(3,4-dichlorophenyl)methyl]-1,3,4-oxadiazole
CID 63044922
2-(3-chloropropyl)-5-cyclopentyl-1,3,4-oxadiazole
CID 43513428
2-[(3-chlorophenyl)methyl]-5-(3-chloropropyl)-1,3,4-oxadiazole
CID 62503900
2-(2-chloroethyl)-5-propyl-1,3,4-oxadiazole
CID 43513170
2-(5-bromo-4-methylthiophen-2-yl)-5-(3-chloropropyl)-1,3,4-oxadiazole
CID 79981773
2-(chloromethyl)-5-(2-methylpropyl)-1,3,4-oxadiazole
CID 53440894
2-(chloromethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazole
CID 103206275
2-(chloromethyl)-5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazole
CID 103206274
2-(3-chloropropyl)-5-thiophen-3-yl-1,3,4-oxadiazole
CID 43513413

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-(3-chloropropyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(chloromethyl)-5-(3-chloropropyl)-1,3,4-oxadiazole (CID 54852620) is 2-(chloromethyl)-5-(3-chloropropyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(chloromethyl)-5-(3-chloropropyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(chloromethyl)-5-(3-chloropropyl)-1,3,4-oxadiazole is ClCCCc1nnc(CCl)o1.
What is the InChIKey of 2-(chloromethyl)-5-(3-chloropropyl)-1,3,4-oxadiazole?
The InChIKey is JQAPXDXFSQZLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Cl2N2O/c7-3-1-2-5-9-10-6(4-8)11-5/h1-4H2.
What are the key properties of 2-(chloromethyl)-5-(3-chloropropyl)-1,3,4-oxadiazole?
2-(chloromethyl)-5-(3-chloropropyl)-1,3,4-oxadiazole has a molecular weight of 195.05 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-(3-chloropropyl)-1,3,4-oxadiazole is sourced from PubChem (CID 54852620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).