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

C8H11ClN2O — CID 103162193

IUPAC2-(chloromethyl)-5-(cyclobutylmethyl)-1,3,4-oxadiazole
SMILESClCc1nnc(CC2CCC2)o1
InChIInChI=1S/C8H11ClN2O/c9-5-8-11-10-7(12-8)4-6-2-1-3-6/h6H,1-5H2
InChIKeyCRAIPNJPEYJXGK-UHFFFAOYSA-N
MW186.64 g/mol
LogP2.15
Rot. Bonds3

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

2-(chloromethyl)-5-(cyclobutylmethyl)-1,3,4-oxadiazole (PubChem CID 103162193) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is 2-(chloromethyl)-5-(cyclobutylmethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-(cyclobutylmethyl)-1,3,4-oxadiazole
PubChem CID103162193
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name2-(chloromethyl)-5-(cyclobutylmethyl)-1,3,4-oxadiazole
SMILESClCc1nnc(CC2CCC2)o1
InChIInChI=1S/C8H11ClN2O/c9-5-8-11-10-7(12-8)4-6-2-1-3-6/h6H,1-5H2
InChIKeyCRAIPNJPEYJXGK-UHFFFAOYSA-N
XLogP2.15
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(Chloromethyl)-5-cyclobutyl-1,3,4-oxadiazole
CID 51889586
2-(Chloromethyl)-5-cyclohexyl-1,3,4-oxadiazole
CID 23462265
2-(Chloromethyl)-5-pentan-2-yl-1,3,4-oxadiazole
CID 43164908
2-(Chloromethyl)-5-(pentan-3-yl)-1,3,4-oxadiazole
CID 43164929
2-(Cyclobutylmethyl)-5-ethyl-1,3,4-oxadiazole
CID 130653087
2-Cyclohexyl-5-(dichloromethyl)-1,3,4-oxadiazole
CID 140449390
2-(1-Chloroethyl)-5-cyclohexyl-1,3,4-oxadiazole
CID 16767963
2-(Chloromethyl)-5-cyclopentyl-1,3,4-oxadiazole
CID 30060551
2-(Chloromethyl)-5-(3-methylbutyl)-1,3,4-oxadiazole
CID 43164909
2-(Chloromethyl)-5-(cyclohexylmethyl)-1,3,4-oxadiazole
CID 43164911
2-(Chloromethyl)-5-(2-cyclohexylethyl)-1,3,4-oxadiazole
CID 43164914
2-(Chloromethyl)-5-(2-cyclopentylethyl)-1,3,4-oxadiazole
CID 43164923

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-(cyclobutylmethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(chloromethyl)-5-(cyclobutylmethyl)-1,3,4-oxadiazole (CID 103162193) is 2-(chloromethyl)-5-(cyclobutylmethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(chloromethyl)-5-(cyclobutylmethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(chloromethyl)-5-(cyclobutylmethyl)-1,3,4-oxadiazole is ClCc1nnc(CC2CCC2)o1.
What is the InChIKey of 2-(chloromethyl)-5-(cyclobutylmethyl)-1,3,4-oxadiazole?
The InChIKey is CRAIPNJPEYJXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O/c9-5-8-11-10-7(12-8)4-6-2-1-3-6/h6H,1-5H2.
What are the key properties of 2-(chloromethyl)-5-(cyclobutylmethyl)-1,3,4-oxadiazole?
2-(chloromethyl)-5-(cyclobutylmethyl)-1,3,4-oxadiazole has a molecular weight of 186.64 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-(cyclobutylmethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 103162193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).