2-(1-chloroethyl)-5-cyclohexyl-1,3,4-oxadiazole

C10H15ClN2O — CID 16767963

IUPAC2-(1-chloroethyl)-5-cyclohexyl-1,3,4-oxadiazole
SMILESCC(Cl)c1nnc(C2CCCCC2)o1
InChIInChI=1S/C10H15ClN2O/c1-7(11)9-12-13-10(14-9)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3
InChIKeyJJWRFWTVJRXLBE-UHFFFAOYSA-N
MW214.70 g/mol
LogP3.42
Rot. Bonds2

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

2-(1-chloroethyl)-5-cyclohexyl-1,3,4-oxadiazole (PubChem CID 16767963) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 2-(1-chloroethyl)-5-cyclohexyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-chloroethyl)-5-cyclohexyl-1,3,4-oxadiazole
PubChem CID16767963
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name2-(1-chloroethyl)-5-cyclohexyl-1,3,4-oxadiazole
SMILESCC(Cl)c1nnc(C2CCCCC2)o1
InChIInChI=1S/C10H15ClN2O/c1-7(11)9-12-13-10(14-9)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3
InChIKeyJJWRFWTVJRXLBE-UHFFFAOYSA-N
XLogP3.42
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-5-cyclohexyl-1,3,4-oxadiazole?
The IUPAC name of 2-(1-chloroethyl)-5-cyclohexyl-1,3,4-oxadiazole (CID 16767963) is 2-(1-chloroethyl)-5-cyclohexyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-chloroethyl)-5-cyclohexyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-chloroethyl)-5-cyclohexyl-1,3,4-oxadiazole is CC(Cl)c1nnc(C2CCCCC2)o1.
What is the InChIKey of 2-(1-chloroethyl)-5-cyclohexyl-1,3,4-oxadiazole?
The InChIKey is JJWRFWTVJRXLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O/c1-7(11)9-12-13-10(14-9)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3.
What are the key properties of 2-(1-chloroethyl)-5-cyclohexyl-1,3,4-oxadiazole?
2-(1-chloroethyl)-5-cyclohexyl-1,3,4-oxadiazole has a molecular weight of 214.70 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-5-cyclohexyl-1,3,4-oxadiazole is sourced from PubChem (CID 16767963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).