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

C11H17ClN2O — CID 43513043

IUPAC2-(1-chloroethyl)-5-(2-cyclopentylethyl)-1,3,4-oxadiazole
SMILESCC(Cl)c1nnc(CCC2CCCC2)o1
InChIInChI=1S/C11H17ClN2O/c1-8(12)11-14-13-10(15-11)7-6-9-4-2-3-5-9/h8-9H,2-7H2,1H3
InChIKeySKBWJLLHSGDWJA-UHFFFAOYSA-N
MW228.72 g/mol
LogP3.49
Rot. Bonds4

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

2-(1-chloroethyl)-5-(2-cyclopentylethyl)-1,3,4-oxadiazole (PubChem CID 43513043) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 2-(1-chloroethyl)-5-(2-cyclopentylethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-chloroethyl)-5-(2-cyclopentylethyl)-1,3,4-oxadiazole
PubChem CID43513043
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name2-(1-chloroethyl)-5-(2-cyclopentylethyl)-1,3,4-oxadiazole
SMILESCC(Cl)c1nnc(CCC2CCCC2)o1
InChIInChI=1S/C11H17ClN2O/c1-8(12)11-14-13-10(15-11)7-6-9-4-2-3-5-9/h8-9H,2-7H2,1H3
InChIKeySKBWJLLHSGDWJA-UHFFFAOYSA-N
XLogP3.49
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 53.49
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-(2-cyclopentylethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(1-chloroethyl)-5-(2-cyclopentylethyl)-1,3,4-oxadiazole (CID 43513043) is 2-(1-chloroethyl)-5-(2-cyclopentylethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-chloroethyl)-5-(2-cyclopentylethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-chloroethyl)-5-(2-cyclopentylethyl)-1,3,4-oxadiazole is CC(Cl)c1nnc(CCC2CCCC2)o1.
What is the InChIKey of 2-(1-chloroethyl)-5-(2-cyclopentylethyl)-1,3,4-oxadiazole?
The InChIKey is SKBWJLLHSGDWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-8(12)11-14-13-10(15-11)7-6-9-4-2-3-5-9/h8-9H,2-7H2,1H3.
What are the key properties of 2-(1-chloroethyl)-5-(2-cyclopentylethyl)-1,3,4-oxadiazole?
2-(1-chloroethyl)-5-(2-cyclopentylethyl)-1,3,4-oxadiazole has a molecular weight of 228.72 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-5-(2-cyclopentylethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 43513043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).