5-(1,1-dichloroethyl)-3-ethyl-1,2,4-oxadiazole

C6H8Cl2N2O — CID 130668193

IUPAC5-(1,1-dichloroethyl)-3-ethyl-1,2,4-oxadiazole
SMILESCCc1noc(C(C)(Cl)Cl)n1
InChIInChI=1S/C6H8Cl2N2O/c1-3-4-9-5(11-10-4)6(2,7)8/h3H2,1-2H3
InChIKeyPZGGREWTRBHJNL-UHFFFAOYSA-N
MW195.05 g/mol
LogP2.28
Rot. Bonds2

About 5-(1,1-dichloroethyl)-3-ethyl-1,2,4-oxadiazole

5-(1,1-dichloroethyl)-3-ethyl-1,2,4-oxadiazole (PubChem CID 130668193) has the molecular formula C6H8Cl2N2O and a molecular weight of 195.05 g/mol. Its IUPAC name is 5-(1,1-dichloroethyl)-3-ethyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1,1-dichloroethyl)-3-ethyl-1,2,4-oxadiazole
PubChem CID130668193
Molecular FormulaC6H8Cl2N2O
Molecular Weight195.05 g/mol
Exact Mass194.00
IUPAC Name5-(1,1-dichloroethyl)-3-ethyl-1,2,4-oxadiazole
SMILESCCc1noc(C(C)(Cl)Cl)n1
InChIInChI=1S/C6H8Cl2N2O/c1-3-4-9-5(11-10-4)6(2,7)8/h3H2,1-2H3
InChIKeyPZGGREWTRBHJNL-UHFFFAOYSA-N
XLogP2.28
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.05
LogP ≤ 52.28
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-ethyl-1,2,4-oxadiazol-5-yl)-N,N-dimethylpropan-2-amine
CID 123866100
5-(2,2-dimethylpropyl)-3-ethyl-1,2,4-oxadiazole
CID 58059649
[5-(2-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 62677703
5-(chloromethyl)-3-ethyl-1,2,4-oxadiazole
CID 161311247
1-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpropan-2-amine
CID 64671837
5-tert-butyl-3-(fluoromethyl)-1,2,4-oxadiazole
CID 176864350
(5-tert-butyl-1,2,4-oxadiazol-3-yl)methanethiol
CID 151668705
5-tert-butyl-3-(methylsulfanylmethyl)-1,2,4-oxadiazole
CID 130636836
3-ethyl-N-propyl-1,2,4-oxadiazol-5-amine
CID 62594478
2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63890411
2-(3-butyl-1,2,4-oxadiazol-5-yl)-N-methylpropan-2-amine
CID 79404772
1,1,1-trifluoro-2-(3-propyl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 79798158

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-dichloroethyl)-3-ethyl-1,2,4-oxadiazole?
The IUPAC name of 5-(1,1-dichloroethyl)-3-ethyl-1,2,4-oxadiazole (CID 130668193) is 5-(1,1-dichloroethyl)-3-ethyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1,1-dichloroethyl)-3-ethyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(1,1-dichloroethyl)-3-ethyl-1,2,4-oxadiazole is CCc1noc(C(C)(Cl)Cl)n1.
What is the InChIKey of 5-(1,1-dichloroethyl)-3-ethyl-1,2,4-oxadiazole?
The InChIKey is PZGGREWTRBHJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Cl2N2O/c1-3-4-9-5(11-10-4)6(2,7)8/h3H2,1-2H3.
What are the key properties of 5-(1,1-dichloroethyl)-3-ethyl-1,2,4-oxadiazole?
5-(1,1-dichloroethyl)-3-ethyl-1,2,4-oxadiazole has a molecular weight of 195.05 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-dichloroethyl)-3-ethyl-1,2,4-oxadiazole is sourced from PubChem (CID 130668193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).