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

C7H9ClN2O — CID 130540118

IUPAC5-chloro-3-(cyclobutylmethyl)-1,2,4-oxadiazole
SMILESClc1nc(CC2CCC2)no1
InChIInChI=1S/C7H9ClN2O/c8-7-9-6(10-11-7)4-5-2-1-3-5/h5H,1-4H2
InChIKeyXXMTUUBVCCDWBQ-UHFFFAOYSA-N
MW172.61 g/mol
LogP2.07
Rot. Bonds2

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

5-chloro-3-(cyclobutylmethyl)-1,2,4-oxadiazole (PubChem CID 130540118) has the molecular formula C7H9ClN2O and a molecular weight of 172.61 g/mol. Its IUPAC name is 5-chloro-3-(cyclobutylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-chloro-3-(cyclobutylmethyl)-1,2,4-oxadiazole
PubChem CID130540118
Molecular FormulaC7H9ClN2O
Molecular Weight172.61 g/mol
Exact Mass172.04
IUPAC Name5-chloro-3-(cyclobutylmethyl)-1,2,4-oxadiazole
SMILESClc1nc(CC2CCC2)no1
InChIInChI=1S/C7H9ClN2O/c8-7-9-6(10-11-7)4-5-2-1-3-5/h5H,1-4H2
InChIKeyXXMTUUBVCCDWBQ-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(cyclobutylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-chloro-3-(cyclobutylmethyl)-1,2,4-oxadiazole (CID 130540118) is 5-chloro-3-(cyclobutylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-chloro-3-(cyclobutylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-chloro-3-(cyclobutylmethyl)-1,2,4-oxadiazole is Clc1nc(CC2CCC2)no1.
What is the InChIKey of 5-chloro-3-(cyclobutylmethyl)-1,2,4-oxadiazole?
The InChIKey is XXMTUUBVCCDWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O/c8-7-9-6(10-11-7)4-5-2-1-3-5/h5H,1-4H2.
What are the key properties of 5-chloro-3-(cyclobutylmethyl)-1,2,4-oxadiazole?
5-chloro-3-(cyclobutylmethyl)-1,2,4-oxadiazole has a molecular weight of 172.61 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(cyclobutylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 130540118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).