3-(2-azaspiro[4.5]decan-4-yl)-1,2,4-oxadiazole

C11H17N3O — CID 91812060

IUPAC3-(2-azaspiro[4.5]decan-4-yl)-1,2,4-oxadiazole
SMILESc1nc(C2CNCC23CCCCC3)no1
InChIInChI=1S/C11H17N3O/c1-2-4-11(5-3-1)7-12-6-9(11)10-13-8-15-14-10/h8-9,12H,1-7H2
InChIKeyRJEBXOKUDQUVPH-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.71
Rot. Bonds1

About 3-(2-azaspiro[4.5]decan-4-yl)-1,2,4-oxadiazole

3-(2-azaspiro[4.5]decan-4-yl)-1,2,4-oxadiazole (PubChem CID 91812060) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-(2-azaspiro[4.5]decan-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-azaspiro[4.5]decan-4-yl)-1,2,4-oxadiazole
PubChem CID91812060
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-(2-azaspiro[4.5]decan-4-yl)-1,2,4-oxadiazole
SMILESc1nc(C2CNCC23CCCCC3)no1
InChIInChI=1S/C11H17N3O/c1-2-4-11(5-3-1)7-12-6-9(11)10-13-8-15-14-10/h8-9,12H,1-7H2
InChIKeyRJEBXOKUDQUVPH-UHFFFAOYSA-N
XLogP1.71
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-azaspiro[4.5]decan-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-azaspiro[4.5]decan-4-yl)-1,2,4-oxadiazole (CID 91812060) is 3-(2-azaspiro[4.5]decan-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-azaspiro[4.5]decan-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-azaspiro[4.5]decan-4-yl)-1,2,4-oxadiazole is c1nc(C2CNCC23CCCCC3)no1.
What is the InChIKey of 3-(2-azaspiro[4.5]decan-4-yl)-1,2,4-oxadiazole?
The InChIKey is RJEBXOKUDQUVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-4-11(5-3-1)7-12-6-9(11)10-13-8-15-14-10/h8-9,12H,1-7H2.
What are the key properties of 3-(2-azaspiro[4.5]decan-4-yl)-1,2,4-oxadiazole?
3-(2-azaspiro[4.5]decan-4-yl)-1,2,4-oxadiazole has a molecular weight of 207.28 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-azaspiro[4.5]decan-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 91812060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).