2-cyclobutyl-5-piperidin-2-yl-1,3,4-oxadiazole

C11H17N3O — CID 82672322

IUPAC2-cyclobutyl-5-piperidin-2-yl-1,3,4-oxadiazole
SMILESC1CCC(c2nnc(C3CCC3)o2)NC1
InChIInChI=1S/C11H17N3O/c1-2-7-12-9(6-1)11-14-13-10(15-11)8-4-3-5-8/h8-9,12H,1-7H2
InChIKeyBNJKGCCCACWOQY-UHFFFAOYSA-N
MW207.28 g/mol
LogP2.15
Rot. Bonds2

About 2-cyclobutyl-5-piperidin-2-yl-1,3,4-oxadiazole

2-cyclobutyl-5-piperidin-2-yl-1,3,4-oxadiazole (PubChem CID 82672322) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-cyclobutyl-5-piperidin-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclobutyl-5-piperidin-2-yl-1,3,4-oxadiazole
PubChem CID82672322
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-cyclobutyl-5-piperidin-2-yl-1,3,4-oxadiazole
SMILESC1CCC(c2nnc(C3CCC3)o2)NC1
InChIInChI=1S/C11H17N3O/c1-2-7-12-9(6-1)11-14-13-10(15-11)8-4-3-5-8/h8-9,12H,1-7H2
InChIKeyBNJKGCCCACWOQY-UHFFFAOYSA-N
XLogP2.15
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-5-piperidin-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-cyclobutyl-5-piperidin-2-yl-1,3,4-oxadiazole (CID 82672322) is 2-cyclobutyl-5-piperidin-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclobutyl-5-piperidin-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclobutyl-5-piperidin-2-yl-1,3,4-oxadiazole is C1CCC(c2nnc(C3CCC3)o2)NC1.
What is the InChIKey of 2-cyclobutyl-5-piperidin-2-yl-1,3,4-oxadiazole?
The InChIKey is BNJKGCCCACWOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-7-12-9(6-1)11-14-13-10(15-11)8-4-3-5-8/h8-9,12H,1-7H2.
What are the key properties of 2-cyclobutyl-5-piperidin-2-yl-1,3,4-oxadiazole?
2-cyclobutyl-5-piperidin-2-yl-1,3,4-oxadiazole has a molecular weight of 207.28 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-5-piperidin-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 82672322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).