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

C7H9ClN2O — CID 51889586

IUPAC2-(chloromethyl)-5-cyclobutyl-1,3,4-oxadiazole
SMILESClCc1nnc(C2CCC2)o1
InChIInChI=1S/C7H9ClN2O/c8-4-6-9-10-7(11-6)5-2-1-3-5/h5H,1-4H2
InChIKeyLZCRVMSETJTUOP-UHFFFAOYSA-N
MW172.61 g/mol
LogP2.08
Rot. Bonds2

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

2-(chloromethyl)-5-cyclobutyl-1,3,4-oxadiazole (PubChem CID 51889586) has the molecular formula C7H9ClN2O and a molecular weight of 172.61 g/mol. Its IUPAC name is 2-(chloromethyl)-5-cyclobutyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-cyclobutyl-1,3,4-oxadiazole
PubChem CID51889586
Molecular FormulaC7H9ClN2O
Molecular Weight172.61 g/mol
Exact Mass172.04
IUPAC Name2-(chloromethyl)-5-cyclobutyl-1,3,4-oxadiazole
SMILESClCc1nnc(C2CCC2)o1
InChIInChI=1S/C7H9ClN2O/c8-4-6-9-10-7(11-6)5-2-1-3-5/h5H,1-4H2
InChIKeyLZCRVMSETJTUOP-UHFFFAOYSA-N
XLogP2.08
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.61
LogP ≤ 52.08
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-cyclobutyl-1,3,4-oxadiazole?
The IUPAC name of 2-(chloromethyl)-5-cyclobutyl-1,3,4-oxadiazole (CID 51889586) is 2-(chloromethyl)-5-cyclobutyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(chloromethyl)-5-cyclobutyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(chloromethyl)-5-cyclobutyl-1,3,4-oxadiazole is ClCc1nnc(C2CCC2)o1.
What is the InChIKey of 2-(chloromethyl)-5-cyclobutyl-1,3,4-oxadiazole?
The InChIKey is LZCRVMSETJTUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O/c8-4-6-9-10-7(11-6)5-2-1-3-5/h5H,1-4H2.
What are the key properties of 2-(chloromethyl)-5-cyclobutyl-1,3,4-oxadiazole?
2-(chloromethyl)-5-cyclobutyl-1,3,4-oxadiazole has a molecular weight of 172.61 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-cyclobutyl-1,3,4-oxadiazole is sourced from PubChem (CID 51889586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).