2-(1,7-diazaspiro[4.4]nonan-7-yl)-1,3,4-oxadiazole

C9H14N4O — CID 10012861

IUPAC2-(1,7-diazaspiro[4.4]nonan-7-yl)-1,3,4-oxadiazole
SMILESc1nnc(N2CCC3(CCCN3)C2)o1
InChIInChI=1S/C9H14N4O/c1-2-9(10-4-1)3-5-13(6-9)8-12-11-7-14-8/h7,10H,1-6H2
InChIKeyYSANUTMNEXHJIE-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.40
Rot. Bonds1

About 2-(1,7-diazaspiro[4.4]nonan-7-yl)-1,3,4-oxadiazole

2-(1,7-diazaspiro[4.4]nonan-7-yl)-1,3,4-oxadiazole (PubChem CID 10012861) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 2-(1,7-diazaspiro[4.4]nonan-7-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1,7-diazaspiro[4.4]nonan-7-yl)-1,3,4-oxadiazole
PubChem CID10012861
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name2-(1,7-diazaspiro[4.4]nonan-7-yl)-1,3,4-oxadiazole
SMILESc1nnc(N2CCC3(CCCN3)C2)o1
InChIInChI=1S/C9H14N4O/c1-2-9(10-4-1)3-5-13(6-9)8-12-11-7-14-8/h7,10H,1-6H2
InChIKeyYSANUTMNEXHJIE-UHFFFAOYSA-N
XLogP0.40
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,7-diazaspiro[4.4]nonan-7-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(1,7-diazaspiro[4.4]nonan-7-yl)-1,3,4-oxadiazole (CID 10012861) is 2-(1,7-diazaspiro[4.4]nonan-7-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1,7-diazaspiro[4.4]nonan-7-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(1,7-diazaspiro[4.4]nonan-7-yl)-1,3,4-oxadiazole is c1nnc(N2CCC3(CCCN3)C2)o1.
What is the InChIKey of 2-(1,7-diazaspiro[4.4]nonan-7-yl)-1,3,4-oxadiazole?
The InChIKey is YSANUTMNEXHJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-2-9(10-4-1)3-5-13(6-9)8-12-11-7-14-8/h7,10H,1-6H2.
What are the key properties of 2-(1,7-diazaspiro[4.4]nonan-7-yl)-1,3,4-oxadiazole?
2-(1,7-diazaspiro[4.4]nonan-7-yl)-1,3,4-oxadiazole has a molecular weight of 194.24 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,7-diazaspiro[4.4]nonan-7-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 10012861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).