2-[2-[2-ethyl-4-[2-(1,3,4-oxadiazolidin-2-yl)ethynyl]cyclohexyl]ethynyl]-1,3,4-oxadiazolidine

C16H24N4O2 — CID 140509674

IUPAC2-[2-[2-ethyl-4-[2-(1,3,4-oxadiazolidin-2-yl)ethynyl]cyclohexyl]ethynyl]-1,3,4-oxadiazolidine
SMILESCCC1CC(C#CC2NNCO2)CCC1C#CC1NNCO1
InChIInChI=1S/C16H24N4O2/c1-2-13-9-12(4-7-15-19-17-10-21-15)3-5-14(13)6-8-16-20-18-11-22-16/h12-20H,2-3,5,9-11H2,1H3
InChIKeySHQSSDCFPQUCAQ-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.25
Rot. Bonds1

About 2-[2-[2-ethyl-4-[2-(1,3,4-oxadiazolidin-2-yl)ethynyl]cyclohexyl]ethynyl]-1,3,4-oxadiazolidine

2-[2-[2-ethyl-4-[2-(1,3,4-oxadiazolidin-2-yl)ethynyl]cyclohexyl]ethynyl]-1,3,4-oxadiazolidine (PubChem CID 140509674) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-[2-[2-ethyl-4-[2-(1,3,4-oxadiazolidin-2-yl)ethynyl]cyclohexyl]ethynyl]-1,3,4-oxadiazolidine.

Molecular Properties

Compound Name2-[2-[2-ethyl-4-[2-(1,3,4-oxadiazolidin-2-yl)ethynyl]cyclohexyl]ethynyl]-1,3,4-oxadiazolidine
PubChem CID140509674
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name2-[2-[2-ethyl-4-[2-(1,3,4-oxadiazolidin-2-yl)ethynyl]cyclohexyl]ethynyl]-1,3,4-oxadiazolidine
SMILESCCC1CC(C#CC2NNCO2)CCC1C#CC1NNCO1
InChIInChI=1S/C16H24N4O2/c1-2-13-9-12(4-7-15-19-17-10-21-15)3-5-14(13)6-8-16-20-18-11-22-16/h12-20H,2-3,5,9-11H2,1H3
InChIKeySHQSSDCFPQUCAQ-UHFFFAOYSA-N
XLogP0.25
TPSA66.58 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-[2-[2-ethyl-4-[2-(1,3,4-oxadiazolidin-2-yl)ethynyl]cyclohexyl]ethynyl]-1,3,4-oxadiazolidine 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-[2-ethyl-4-[2-(1,3,4-oxadiazolidin-2-yl)ethynyl]cyclohexyl]ethynyl]-1,3,4-oxadiazolidine?
The IUPAC name of 2-[2-[2-ethyl-4-[2-(1,3,4-oxadiazolidin-2-yl)ethynyl]cyclohexyl]ethynyl]-1,3,4-oxadiazolidine (CID 140509674) is 2-[2-[2-ethyl-4-[2-(1,3,4-oxadiazolidin-2-yl)ethynyl]cyclohexyl]ethynyl]-1,3,4-oxadiazolidine.
What is the SMILES notation for 2-[2-[2-ethyl-4-[2-(1,3,4-oxadiazolidin-2-yl)ethynyl]cyclohexyl]ethynyl]-1,3,4-oxadiazolidine?
The canonical SMILES for 2-[2-[2-ethyl-4-[2-(1,3,4-oxadiazolidin-2-yl)ethynyl]cyclohexyl]ethynyl]-1,3,4-oxadiazolidine is CCC1CC(C#CC2NNCO2)CCC1C#CC1NNCO1.
What is the InChIKey of 2-[2-[2-ethyl-4-[2-(1,3,4-oxadiazolidin-2-yl)ethynyl]cyclohexyl]ethynyl]-1,3,4-oxadiazolidine?
The InChIKey is SHQSSDCFPQUCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-2-13-9-12(4-7-15-19-17-10-21-15)3-5-14(13)6-8-16-20-18-11-22-16/h12-20H,2-3,5,9-11H2,1H3.
What are the key properties of 2-[2-[2-ethyl-4-[2-(1,3,4-oxadiazolidin-2-yl)ethynyl]cyclohexyl]ethynyl]-1,3,4-oxadiazolidine?
2-[2-[2-ethyl-4-[2-(1,3,4-oxadiazolidin-2-yl)ethynyl]cyclohexyl]ethynyl]-1,3,4-oxadiazolidine has a molecular weight of 304.39 g/mol, XLogP of 0.25, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-ethyl-4-[2-(1,3,4-oxadiazolidin-2-yl)ethynyl]cyclohexyl]ethynyl]-1,3,4-oxadiazolidine is sourced from PubChem (CID 140509674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).