10-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6,10-diazaspiro[4.6]undecane-7,11-dione

C13H18N4O3 — CID 106409683

IUPAC10-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6,10-diazaspiro[4.6]undecane-7,11-dione
SMILESO=C1CCN(CCc2ncon2)C(=O)C2(CCCC2)N1
InChIInChI=1S/C13H18N4O3/c18-11-4-8-17(7-3-10-14-9-20-16-10)12(19)13(15-11)5-1-2-6-13/h9H,1-8H2,(H,15,18)
InChIKeyRIKXDLKTHKDUSY-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.27
Rot. Bonds3

About 10-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6,10-diazaspiro[4.6]undecane-7,11-dione

10-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6,10-diazaspiro[4.6]undecane-7,11-dione (PubChem CID 106409683) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 10-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6,10-diazaspiro[4.6]undecane-7,11-dione.

Molecular Properties

Compound Name10-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6,10-diazaspiro[4.6]undecane-7,11-dione
PubChem CID106409683
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name10-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6,10-diazaspiro[4.6]undecane-7,11-dione
SMILESO=C1CCN(CCc2ncon2)C(=O)C2(CCCC2)N1
InChIInChI=1S/C13H18N4O3/c18-11-4-8-17(7-3-10-14-9-20-16-10)12(19)13(15-11)5-1-2-6-13/h9H,1-8H2,(H,15,18)
InChIKeyRIKXDLKTHKDUSY-UHFFFAOYSA-N
XLogP0.27
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 10-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6,10-diazaspiro[4.6]undecane-7,11-dione with MolForge

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

Launch Full Analysis

Related Compounds

1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,4-diazepane-2,5-dione
CID 106409665
11-propyl-7,11-diazaspiro[5.6]dodecane-8,12-dione
CID 64883747
10-(2-thiophen-3-ylethyl)-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 64882632
11-(2-pyrazol-1-ylethyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione
CID 64882771
10-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 106045858
11-(3,3-dimethylbutyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione
CID 64883163
11-but-3-ynyl-7,11-diazaspiro[5.6]dodecane-8,12-dione
CID 64972524
10-(1,3-thiazol-2-ylmethyl)-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 64965758
10-[(3-methyl-1,2-oxazol-5-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 64968278
11-[(5-methyl-1,2-oxazol-3-yl)methyl]-7,11-diazaspiro[5.6]dodecane-8,12-dione
CID 64967825
11-pent-3-ynyl-7,11-diazaspiro[5.6]dodecane-8,12-dione
CID 116645589
11-(1,3-thiazol-2-ylmethyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione
CID 64965803

Frequently Asked Questions

What is the IUPAC name of 10-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6,10-diazaspiro[4.6]undecane-7,11-dione?
The IUPAC name of 10-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6,10-diazaspiro[4.6]undecane-7,11-dione (CID 106409683) is 10-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6,10-diazaspiro[4.6]undecane-7,11-dione.
What is the SMILES notation for 10-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6,10-diazaspiro[4.6]undecane-7,11-dione?
The canonical SMILES for 10-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6,10-diazaspiro[4.6]undecane-7,11-dione is O=C1CCN(CCc2ncon2)C(=O)C2(CCCC2)N1.
What is the InChIKey of 10-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6,10-diazaspiro[4.6]undecane-7,11-dione?
The InChIKey is RIKXDLKTHKDUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c18-11-4-8-17(7-3-10-14-9-20-16-10)12(19)13(15-11)5-1-2-6-13/h9H,1-8H2,(H,15,18).
What are the key properties of 10-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6,10-diazaspiro[4.6]undecane-7,11-dione?
10-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6,10-diazaspiro[4.6]undecane-7,11-dione has a molecular weight of 278.31 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6,10-diazaspiro[4.6]undecane-7,11-dione is sourced from PubChem (CID 106409683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).