9-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione

C13H18N4O3 — CID 106421991

IUPAC9-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCc1noc(CCN2CC(=O)NC3(CCCC3)C2=O)n1
InChIInChI=1S/C13H18N4O3/c1-9-14-11(20-16-9)4-7-17-8-10(18)15-13(12(17)19)5-2-3-6-13/h2-8H2,1H3,(H,15,18)
InChIKeyJBGFCQABEHRHHV-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.19
Rot. Bonds3

About 9-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione

9-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione (PubChem CID 106421991) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 9-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione.

Molecular Properties

Compound Name9-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione
PubChem CID106421991
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name9-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCc1noc(CCN2CC(=O)NC3(CCCC3)C2=O)n1
InChIInChI=1S/C13H18N4O3/c1-9-14-11(20-16-9)4-7-17-8-10(18)15-13(12(17)19)5-2-3-6-13/h2-8H2,1H3,(H,15,18)
InChIKeyJBGFCQABEHRHHV-UHFFFAOYSA-N
XLogP0.19
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 ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 9-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-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-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]imidazolidine-2,4-dione
CID 106422268
4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,6-dione
CID 106421274
3-tert-butyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione
CID 106422050
4-ethyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64879190
9-(7-methyloctyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 107818476
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-methylpropyl)piperazine-2,5-dione
CID 106422049
3-butan-2-yl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione
CID 106422027
9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64880199
9-(2-thiophen-2-ylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64879048
9-(3-ethoxypropyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64959195
4-(4-methoxybutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64967479
9-[(4-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64880018

Frequently Asked Questions

What is the IUPAC name of 9-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
The IUPAC name of 9-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione (CID 106421991) is 9-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione.
What is the SMILES notation for 9-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
The canonical SMILES for 9-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione is Cc1noc(CCN2CC(=O)NC3(CCCC3)C2=O)n1.
What is the InChIKey of 9-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
The InChIKey is JBGFCQABEHRHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-9-14-11(20-16-9)4-7-17-8-10(18)15-13(12(17)19)5-2-3-6-13/h2-8H2,1H3,(H,15,18).
What are the key properties of 9-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
9-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione has a molecular weight of 278.31 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione is sourced from PubChem (CID 106421991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).