2-(3-chloropropyl)-5-cyclopentyl-1,3,4-oxadiazole

C10H15ClN2O — CID 43513428

IUPAC2-(3-chloropropyl)-5-cyclopentyl-1,3,4-oxadiazole
SMILESClCCCc1nnc(C2CCCC2)o1
InChIInChI=1S/C10H15ClN2O/c11-7-3-6-9-12-13-10(14-9)8-4-1-2-5-8/h8H,1-7H2
InChIKeyNYTUUCBNFWZYBY-UHFFFAOYSA-N
MW214.70 g/mol
LogP2.90
Rot. Bonds4

About 2-(3-chloropropyl)-5-cyclopentyl-1,3,4-oxadiazole

2-(3-chloropropyl)-5-cyclopentyl-1,3,4-oxadiazole (PubChem CID 43513428) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 2-(3-chloropropyl)-5-cyclopentyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-chloropropyl)-5-cyclopentyl-1,3,4-oxadiazole
PubChem CID43513428
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name2-(3-chloropropyl)-5-cyclopentyl-1,3,4-oxadiazole
SMILESClCCCc1nnc(C2CCCC2)o1
InChIInChI=1S/C10H15ClN2O/c11-7-3-6-9-12-13-10(14-9)8-4-1-2-5-8/h8H,1-7H2
InChIKeyNYTUUCBNFWZYBY-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-chloropropyl)-5-cyclopentyl-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-(3-chloropropyl)-5-cyclopentyl-1,3,4-oxadiazole?
The IUPAC name of 2-(3-chloropropyl)-5-cyclopentyl-1,3,4-oxadiazole (CID 43513428) is 2-(3-chloropropyl)-5-cyclopentyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-chloropropyl)-5-cyclopentyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-chloropropyl)-5-cyclopentyl-1,3,4-oxadiazole is ClCCCc1nnc(C2CCCC2)o1.
What is the InChIKey of 2-(3-chloropropyl)-5-cyclopentyl-1,3,4-oxadiazole?
The InChIKey is NYTUUCBNFWZYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O/c11-7-3-6-9-12-13-10(14-9)8-4-1-2-5-8/h8H,1-7H2.
What are the key properties of 2-(3-chloropropyl)-5-cyclopentyl-1,3,4-oxadiazole?
2-(3-chloropropyl)-5-cyclopentyl-1,3,4-oxadiazole has a molecular weight of 214.70 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropyl)-5-cyclopentyl-1,3,4-oxadiazole is sourced from PubChem (CID 43513428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).