3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

C11H15N5O3 — CID 70782918

IUPAC3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCc1nc(CN2C(=O)NC3(CCNCC3)C2=O)no1
InChIInChI=1S/C11H15N5O3/c1-7-13-8(15-19-7)6-16-9(17)11(14-10(16)18)2-4-12-5-3-11/h12H,2-6H2,1H3,(H,14,18)
InChIKeyZEEWLZJTCLAUCR-UHFFFAOYSA-N
MW265.27 g/mol
LogP-0.45
Rot. Bonds2

About 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 70782918) has the molecular formula C11H15N5O3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID70782918
Molecular FormulaC11H15N5O3
Molecular Weight265.27 g/mol
Exact Mass265.12
IUPAC Name3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCc1nc(CN2C(=O)NC3(CCNCC3)C2=O)no1
InChIInChI=1S/C11H15N5O3/c1-7-13-8(15-19-7)6-16-9(17)11(14-10(16)18)2-4-12-5-3-11/h12H,2-6H2,1H3,(H,14,18)
InChIKeyZEEWLZJTCLAUCR-UHFFFAOYSA-N
XLogP-0.45
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione
CID 106410048
1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one
CID 70751368
3-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 70755957
3-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 17490213
(5S)-5-(5-chlorothiophen-2-yl)-5-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4-dione
CID 95339858
3-[(4-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 68626194
5-methyl-3-[[5-(4-methylpiperidin-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole
CID 106410304
3-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 70748418
3-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 62849667
3-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 62849845
3-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 42960204
3-[(3,5-dimethoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;ethane
CID 143811885

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 70782918) is 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is Cc1nc(CN2C(=O)NC3(CCNCC3)C2=O)no1.
What is the InChIKey of 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is ZEEWLZJTCLAUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3/c1-7-13-8(15-19-7)6-16-9(17)11(14-10(16)18)2-4-12-5-3-11/h12H,2-6H2,1H3,(H,14,18).
What are the key properties of 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 265.27 g/mol, XLogP of -0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 70782918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).