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

C8H11ClN2O — CID 30060551

IUPAC2-(chloromethyl)-5-cyclopentyl-1,3,4-oxadiazole
SMILESClCc1nnc(C2CCCC2)o1
InChIInChI=1S/C8H11ClN2O/c9-5-7-10-11-8(12-7)6-3-1-2-4-6/h6H,1-5H2
InChIKeyJNFUSPOMZJDPIB-UHFFFAOYSA-N
MW186.64 g/mol
LogP2.47
Rot. Bonds2

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

2-(chloromethyl)-5-cyclopentyl-1,3,4-oxadiazole (PubChem CID 30060551) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is 2-(chloromethyl)-5-cyclopentyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-cyclopentyl-1,3,4-oxadiazole
PubChem CID30060551
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name2-(chloromethyl)-5-cyclopentyl-1,3,4-oxadiazole
SMILESClCc1nnc(C2CCCC2)o1
InChIInChI=1S/C8H11ClN2O/c9-5-7-10-11-8(12-7)6-3-1-2-4-6/h6H,1-5H2
InChIKeyJNFUSPOMZJDPIB-UHFFFAOYSA-N
XLogP2.47
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 52.47
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-(chloromethyl)-5-cyclopentyl-1,3,4-oxadiazole?
The IUPAC name of 2-(chloromethyl)-5-cyclopentyl-1,3,4-oxadiazole (CID 30060551) is 2-(chloromethyl)-5-cyclopentyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(chloromethyl)-5-cyclopentyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(chloromethyl)-5-cyclopentyl-1,3,4-oxadiazole is ClCc1nnc(C2CCCC2)o1.
What is the InChIKey of 2-(chloromethyl)-5-cyclopentyl-1,3,4-oxadiazole?
The InChIKey is JNFUSPOMZJDPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O/c9-5-7-10-11-8(12-7)6-3-1-2-4-6/h6H,1-5H2.
What are the key properties of 2-(chloromethyl)-5-cyclopentyl-1,3,4-oxadiazole?
2-(chloromethyl)-5-cyclopentyl-1,3,4-oxadiazole has a molecular weight of 186.64 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-cyclopentyl-1,3,4-oxadiazole is sourced from PubChem (CID 30060551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).