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

C10H15ClN2O — CID 43164923

IUPAC2-(chloromethyl)-5-(2-cyclopentylethyl)-1,3,4-oxadiazole
SMILESClCc1nnc(CCC2CCCC2)o1
InChIInChI=1S/C10H15ClN2O/c11-7-10-13-12-9(14-10)6-5-8-3-1-2-4-8/h8H,1-7H2
InChIKeyMWHUUOHPTDIIRM-UHFFFAOYSA-N
MW214.70 g/mol
LogP2.93
Rot. Bonds4

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

2-(chloromethyl)-5-(2-cyclopentylethyl)-1,3,4-oxadiazole (PubChem CID 43164923) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 2-(chloromethyl)-5-(2-cyclopentylethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-(2-cyclopentylethyl)-1,3,4-oxadiazole
PubChem CID43164923
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name2-(chloromethyl)-5-(2-cyclopentylethyl)-1,3,4-oxadiazole
SMILESClCc1nnc(CCC2CCCC2)o1
InChIInChI=1S/C10H15ClN2O/c11-7-10-13-12-9(14-10)6-5-8-3-1-2-4-8/h8H,1-7H2
InChIKeyMWHUUOHPTDIIRM-UHFFFAOYSA-N
XLogP2.93
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(chloromethyl)-5-(2-cyclopentylethyl)-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-(2-cyclopentylethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(chloromethyl)-5-(2-cyclopentylethyl)-1,3,4-oxadiazole (CID 43164923) is 2-(chloromethyl)-5-(2-cyclopentylethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(chloromethyl)-5-(2-cyclopentylethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(chloromethyl)-5-(2-cyclopentylethyl)-1,3,4-oxadiazole is ClCc1nnc(CCC2CCCC2)o1.
What is the InChIKey of 2-(chloromethyl)-5-(2-cyclopentylethyl)-1,3,4-oxadiazole?
The InChIKey is MWHUUOHPTDIIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O/c11-7-10-13-12-9(14-10)6-5-8-3-1-2-4-8/h8H,1-7H2.
What are the key properties of 2-(chloromethyl)-5-(2-cyclopentylethyl)-1,3,4-oxadiazole?
2-(chloromethyl)-5-(2-cyclopentylethyl)-1,3,4-oxadiazole has a molecular weight of 214.70 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-(2-cyclopentylethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 43164923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).