2-(2,7-diazaspiro[3.4]octan-5-yl)-1,3,4-oxadiazole

C8H12N4O — CID 175984101

IUPAC2-(2,7-diazaspiro[3.4]octan-5-yl)-1,3,4-oxadiazole
SMILESc1nnc(C2CNCC23CNC3)o1
InChIInChI=1S/C8H12N4O/c1-6(7-12-11-5-13-7)8(2-9-1)3-10-4-8/h5-6,9-10H,1-4H2
InChIKeyVDKSHNCYEVMVAY-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.65
Rot. Bonds1

About 2-(2,7-diazaspiro[3.4]octan-5-yl)-1,3,4-oxadiazole

2-(2,7-diazaspiro[3.4]octan-5-yl)-1,3,4-oxadiazole (PubChem CID 175984101) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-(2,7-diazaspiro[3.4]octan-5-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2,7-diazaspiro[3.4]octan-5-yl)-1,3,4-oxadiazole
PubChem CID175984101
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name2-(2,7-diazaspiro[3.4]octan-5-yl)-1,3,4-oxadiazole
SMILESc1nnc(C2CNCC23CNC3)o1
InChIInChI=1S/C8H12N4O/c1-6(7-12-11-5-13-7)8(2-9-1)3-10-4-8/h5-6,9-10H,1-4H2
InChIKeyVDKSHNCYEVMVAY-UHFFFAOYSA-N
XLogP-0.65
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2,7-diazaspiro[3.4]octan-5-yl)-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,7-diazaspiro[3.4]octan-5-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2,7-diazaspiro[3.4]octan-5-yl)-1,3,4-oxadiazole (CID 175984101) is 2-(2,7-diazaspiro[3.4]octan-5-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2,7-diazaspiro[3.4]octan-5-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2,7-diazaspiro[3.4]octan-5-yl)-1,3,4-oxadiazole is c1nnc(C2CNCC23CNC3)o1.
What is the InChIKey of 2-(2,7-diazaspiro[3.4]octan-5-yl)-1,3,4-oxadiazole?
The InChIKey is VDKSHNCYEVMVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-6(7-12-11-5-13-7)8(2-9-1)3-10-4-8/h5-6,9-10H,1-4H2.
What are the key properties of 2-(2,7-diazaspiro[3.4]octan-5-yl)-1,3,4-oxadiazole?
2-(2,7-diazaspiro[3.4]octan-5-yl)-1,3,4-oxadiazole has a molecular weight of 180.21 g/mol, XLogP of -0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,7-diazaspiro[3.4]octan-5-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 175984101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).