4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione

C13H16N4O4 — CID 106410048

IUPAC4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione
SMILESCc1nc(CN2C(=O)NC(=O)C3(CCCCC3)C2=O)no1
InChIInChI=1S/C13H16N4O4/c1-8-14-9(16-21-8)7-17-11(19)13(5-3-2-4-6-13)10(18)15-12(17)20/h2-7H2,1H3,(H,15,18,20)
InChIKeyCNVWJMJYSKIBNV-UHFFFAOYSA-N
MW292.29 g/mol
LogP0.91
Rot. Bonds2

About 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione

4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione (PubChem CID 106410048) has the molecular formula C13H16N4O4 and a molecular weight of 292.29 g/mol. Its IUPAC name is 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione.

Molecular Properties

Compound Name4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione
PubChem CID106410048
Molecular FormulaC13H16N4O4
Molecular Weight292.29 g/mol
Exact Mass292.12
IUPAC Name4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione
SMILESCc1nc(CN2C(=O)NC(=O)C3(CCCCC3)C2=O)no1
InChIInChI=1S/C13H16N4O4/c1-8-14-9(16-21-8)7-17-11(19)13(5-3-2-4-6-13)10(18)15-12(17)20/h2-7H2,1H3,(H,15,18,20)
InChIKeyCNVWJMJYSKIBNV-UHFFFAOYSA-N
XLogP0.91
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 70782918
4-[(5-methyl-1,3-oxazol-2-yl)methyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione
CID 106377422
9-[(5-methyl-1,3-oxazol-2-yl)methyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 106377426
7-[(3-methyl-1,2-oxazol-5-yl)methyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112599878
7-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 106377433
4-[2-(dimethylamino)propyl]-2,4-diazaspiro[5.6]dodecane-1,3,5-trione
CID 115947356
9-[(4-methyl-3-pyridinyl)methyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 114958048
4-(1,3-thiazol-2-ylmethyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione
CID 115947293
8-[(5-methylfuran-2-yl)methyl]-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 112600468
4-(2-methoxyethyl)-2,4-diazaspiro[5.6]dodecane-1,3,5-trione
CID 112598636
9-[(1-methylpyrazol-3-yl)methyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115949050
(5S)-5-(5-chlorothiophen-2-yl)-5-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4-dione
CID 95339858

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione?
The IUPAC name of 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione (CID 106410048) is 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione.
What is the SMILES notation for 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione?
The canonical SMILES for 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione is Cc1nc(CN2C(=O)NC(=O)C3(CCCCC3)C2=O)no1.
What is the InChIKey of 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione?
The InChIKey is CNVWJMJYSKIBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4/c1-8-14-9(16-21-8)7-17-11(19)13(5-3-2-4-6-13)10(18)15-12(17)20/h2-7H2,1H3,(H,15,18,20).
What are the key properties of 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione?
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione has a molecular weight of 292.29 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione is sourced from PubChem (CID 106410048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).