5-tert-butyl-3-(pyrrolidin-1-ylmethyl)-1,2,4-oxadiazole

C11H19N3O — CID 51086501

IUPAC5-tert-butyl-3-(pyrrolidin-1-ylmethyl)-1,2,4-oxadiazole
SMILESCC(C)(C)c1nc(CN2CCCC2)no1
InChIInChI=1S/C11H19N3O/c1-11(2,3)10-12-9(13-15-10)8-14-6-4-5-7-14/h4-8H2,1-3H3
InChIKeyIBZRFBVBZULFLJ-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.96
Rot. Bonds2

About 5-tert-butyl-3-(pyrrolidin-1-ylmethyl)-1,2,4-oxadiazole

5-tert-butyl-3-(pyrrolidin-1-ylmethyl)-1,2,4-oxadiazole (PubChem CID 51086501) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 5-tert-butyl-3-(pyrrolidin-1-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-tert-butyl-3-(pyrrolidin-1-ylmethyl)-1,2,4-oxadiazole
PubChem CID51086501
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name5-tert-butyl-3-(pyrrolidin-1-ylmethyl)-1,2,4-oxadiazole
SMILESCC(C)(C)c1nc(CN2CCCC2)no1
InChIInChI=1S/C11H19N3O/c1-11(2,3)10-12-9(13-15-10)8-14-6-4-5-7-14/h4-8H2,1-3H3
InChIKeyIBZRFBVBZULFLJ-UHFFFAOYSA-N
XLogP1.96
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-(pyrrolidin-1-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-tert-butyl-3-(pyrrolidin-1-ylmethyl)-1,2,4-oxadiazole (CID 51086501) is 5-tert-butyl-3-(pyrrolidin-1-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-tert-butyl-3-(pyrrolidin-1-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-tert-butyl-3-(pyrrolidin-1-ylmethyl)-1,2,4-oxadiazole is CC(C)(C)c1nc(CN2CCCC2)no1.
What is the InChIKey of 5-tert-butyl-3-(pyrrolidin-1-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is IBZRFBVBZULFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-11(2,3)10-12-9(13-15-10)8-14-6-4-5-7-14/h4-8H2,1-3H3.
What are the key properties of 5-tert-butyl-3-(pyrrolidin-1-ylmethyl)-1,2,4-oxadiazole?
5-tert-butyl-3-(pyrrolidin-1-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 209.29 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-(pyrrolidin-1-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 51086501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).