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

C11H17N3O — CID 71876562

IUPAC2-cyclobutyl-5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazole
SMILESC1CC(c2nnc(CN3CCCC3)o2)C1
InChIInChI=1S/C11H17N3O/c1-2-7-14(6-1)8-10-12-13-11(15-10)9-4-3-5-9/h9H,1-8H2
InChIKeyGLHRNTJIPTUFJK-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.93
Rot. Bonds3

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

2-cyclobutyl-5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazole (PubChem CID 71876562) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-cyclobutyl-5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclobutyl-5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazole
PubChem CID71876562
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-cyclobutyl-5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazole
SMILESC1CC(c2nnc(CN3CCCC3)o2)C1
InChIInChI=1S/C11H17N3O/c1-2-7-14(6-1)8-10-12-13-11(15-10)9-4-3-5-9/h9H,1-8H2
InChIKeyGLHRNTJIPTUFJK-UHFFFAOYSA-N
XLogP1.93
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-cyclobutyl-5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazole (CID 71876562) is 2-cyclobutyl-5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclobutyl-5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclobutyl-5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazole is C1CC(c2nnc(CN3CCCC3)o2)C1.
What is the InChIKey of 2-cyclobutyl-5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazole?
The InChIKey is GLHRNTJIPTUFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-7-14(6-1)8-10-12-13-11(15-10)9-4-3-5-9/h9H,1-8H2.
What are the key properties of 2-cyclobutyl-5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazole?
2-cyclobutyl-5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazole has a molecular weight of 207.28 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 71876562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).