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

C5H6ClFN2O — CID 123466204

IUPAC5-(chloromethyl)-3-(1-fluoroethyl)-1,2,4-oxadiazole
SMILESCC(F)c1noc(CCl)n1
InChIInChI=1S/C5H6ClFN2O/c1-3(7)5-8-4(2-6)10-9-5/h3H,2H2,1H3
InChIKeyODPLDVYYABNCRC-UHFFFAOYSA-N
MW164.57 g/mol
LogP1.84
Rot. Bonds2

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

5-(chloromethyl)-3-(1-fluoroethyl)-1,2,4-oxadiazole (PubChem CID 123466204) has the molecular formula C5H6ClFN2O and a molecular weight of 164.57 g/mol. Its IUPAC name is 5-(chloromethyl)-3-(1-fluoroethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(chloromethyl)-3-(1-fluoroethyl)-1,2,4-oxadiazole
PubChem CID123466204
Molecular FormulaC5H6ClFN2O
Molecular Weight164.57 g/mol
Exact Mass164.02
IUPAC Name5-(chloromethyl)-3-(1-fluoroethyl)-1,2,4-oxadiazole
SMILESCC(F)c1noc(CCl)n1
InChIInChI=1S/C5H6ClFN2O/c1-3(7)5-8-4(2-6)10-9-5/h3H,2H2,1H3
InChIKeyODPLDVYYABNCRC-UHFFFAOYSA-N
XLogP1.84
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.57
LogP ≤ 51.84
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-Methyl-5-(trichloromethyl)-1,2,4-oxadiazole
CID 70953
3-(Chloromethyl)-5-methyl-1,2,4-oxadiazole
CID 302157
3-Tert-butyl-5-(trichloromethyl)-1,2,4-oxadiazole
CID 54592748
5-(Chloromethyl)-3-methyl-1,2,4-oxadiazole
CID 12774825
5-(Chloromethyl)-3-(propan-2-yl)-1,2,4-oxadiazole
CID 13478509
1,2,4-Oxadiazole, 3,5-bis(chloromethyl)-
CID 6451206
5-Tert-butyl-3-(chloromethyl)-1,2,4-oxadiazole
CID 2796738
3-(2-Chloroethyl)-5-methyl-1,2,4-oxadiazole
CID 12551457
5-(1-Chloroethyl)-3-methyl-1,2,4-oxadiazole
CID 12941959
5-(Chloromethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole
CID 13563301
5-(Chloromethyl)-3-cyclopropyl-1,2,4-oxadiazole
CID 15924311
5-(Chloromethyl)-3-(2-methylpropyl)-1,2,4-oxadiazole
CID 16227881

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-3-(1-fluoroethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(chloromethyl)-3-(1-fluoroethyl)-1,2,4-oxadiazole (CID 123466204) is 5-(chloromethyl)-3-(1-fluoroethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(chloromethyl)-3-(1-fluoroethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(chloromethyl)-3-(1-fluoroethyl)-1,2,4-oxadiazole is CC(F)c1noc(CCl)n1.
What is the InChIKey of 5-(chloromethyl)-3-(1-fluoroethyl)-1,2,4-oxadiazole?
The InChIKey is ODPLDVYYABNCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClFN2O/c1-3(7)5-8-4(2-6)10-9-5/h3H,2H2,1H3.
What are the key properties of 5-(chloromethyl)-3-(1-fluoroethyl)-1,2,4-oxadiazole?
5-(chloromethyl)-3-(1-fluoroethyl)-1,2,4-oxadiazole has a molecular weight of 164.57 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-3-(1-fluoroethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 123466204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).