2-(8-azaspiro[4.6]undecan-8-ylmethyl)-5-pyrrolidin-1-yl-1,3,4-oxadiazole

C17H28N4O — CID 167899694

IUPAC2-(8-azaspiro[4.6]undecan-8-ylmethyl)-5-pyrrolidin-1-yl-1,3,4-oxadiazole
SMILESC1CCN(c2nnc(CN3CCCC4(CCCC4)CC3)o2)C1
InChIInChI=1S/C17H28N4O/c1-2-7-17(6-1)8-5-10-20(13-9-17)14-15-18-19-16(22-15)21-11-3-4-12-21/h1-14H2
InChIKeyXAKYKITYSHLNNI-UHFFFAOYSA-N
MW304.44 g/mol
LogP3.22
Rot. Bonds3

About 2-(8-azaspiro[4.6]undecan-8-ylmethyl)-5-pyrrolidin-1-yl-1,3,4-oxadiazole

2-(8-azaspiro[4.6]undecan-8-ylmethyl)-5-pyrrolidin-1-yl-1,3,4-oxadiazole (PubChem CID 167899694) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-(8-azaspiro[4.6]undecan-8-ylmethyl)-5-pyrrolidin-1-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(8-azaspiro[4.6]undecan-8-ylmethyl)-5-pyrrolidin-1-yl-1,3,4-oxadiazole
PubChem CID167899694
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name2-(8-azaspiro[4.6]undecan-8-ylmethyl)-5-pyrrolidin-1-yl-1,3,4-oxadiazole
SMILESC1CCN(c2nnc(CN3CCCC4(CCCC4)CC3)o2)C1
InChIInChI=1S/C17H28N4O/c1-2-7-17(6-1)8-5-10-20(13-9-17)14-15-18-19-16(22-15)21-11-3-4-12-21/h1-14H2
InChIKeyXAKYKITYSHLNNI-UHFFFAOYSA-N
XLogP3.22
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(8-azaspiro[4.6]undecan-8-ylmethyl)-5-pyrrolidin-1-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(8-azaspiro[4.6]undecan-8-ylmethyl)-5-pyrrolidin-1-yl-1,3,4-oxadiazole (CID 167899694) is 2-(8-azaspiro[4.6]undecan-8-ylmethyl)-5-pyrrolidin-1-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(8-azaspiro[4.6]undecan-8-ylmethyl)-5-pyrrolidin-1-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(8-azaspiro[4.6]undecan-8-ylmethyl)-5-pyrrolidin-1-yl-1,3,4-oxadiazole is C1CCN(c2nnc(CN3CCCC4(CCCC4)CC3)o2)C1.
What is the InChIKey of 2-(8-azaspiro[4.6]undecan-8-ylmethyl)-5-pyrrolidin-1-yl-1,3,4-oxadiazole?
The InChIKey is XAKYKITYSHLNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-2-7-17(6-1)8-5-10-20(13-9-17)14-15-18-19-16(22-15)21-11-3-4-12-21/h1-14H2.
What are the key properties of 2-(8-azaspiro[4.6]undecan-8-ylmethyl)-5-pyrrolidin-1-yl-1,3,4-oxadiazole?
2-(8-azaspiro[4.6]undecan-8-ylmethyl)-5-pyrrolidin-1-yl-1,3,4-oxadiazole has a molecular weight of 304.44 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azaspiro[4.6]undecan-8-ylmethyl)-5-pyrrolidin-1-yl-1,3,4-oxadiazole is sourced from PubChem (CID 167899694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).