(6S,10R)-3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione

C17H20N4O4 — CID 25482818

IUPAC(6S,10R)-3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESC[C@@H]1CCC[C@H](C)C12NC(=O)N(Cc1nc(-c3ccco3)no1)C2=O
InChIInChI=1S/C17H20N4O4/c1-10-5-3-6-11(2)17(10)15(22)21(16(23)19-17)9-13-18-14(20-25-13)12-7-4-8-24-12/h4,7-8,10-11H,3,5-6,9H2,1-2H3,(H,19,23)/t10-,11+,17?
InChIKeyWWJSYTVFLZTTSI-DNJLBHFNSA-N
MW344.37 g/mol
LogP2.58
Rot. Bonds3

About (6S,10R)-3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione

(6S,10R)-3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 25482818) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is (6S,10R)-3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name(6S,10R)-3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID25482818
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name(6S,10R)-3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESC[C@@H]1CCC[C@H](C)C12NC(=O)N(Cc1nc(-c3ccco3)no1)C2=O
InChIInChI=1S/C17H20N4O4/c1-10-5-3-6-11(2)17(10)15(22)21(16(23)19-17)9-13-18-14(20-25-13)12-7-4-8-24-12/h4,7-8,10-11H,3,5-6,9H2,1-2H3,(H,19,23)/t10-,11+,17?
InChIKeyWWJSYTVFLZTTSI-DNJLBHFNSA-N
XLogP2.58
TPSA101.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (6S,10R)-3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione with MolForge

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Related Compounds

3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 71942995
3-(furan-2-yl)-5-[(3-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 134019527
1-cyclopropyl-3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione
CID 87022799
(5R,6R)-3-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 94139700
3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 24521967
(5R,6R)-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9441602
3-(furan-2-yl)-5-(pyrrolidin-1-ylmethyl)-1,2,4-oxadiazole
CID 51076543
3-(furan-2-yl)-5-[[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 37202045
5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole
CID 43052577
3-(furan-2-yl)-5-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-1,2,4-oxadiazole
CID 66207662
[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 119926914
(5R)-3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 40767255

Frequently Asked Questions

What is the IUPAC name of (6S,10R)-3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of (6S,10R)-3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 25482818) is (6S,10R)-3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for (6S,10R)-3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for (6S,10R)-3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione is C[C@@H]1CCC[C@H](C)C12NC(=O)N(Cc1nc(-c3ccco3)no1)C2=O.
What is the InChIKey of (6S,10R)-3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is WWJSYTVFLZTTSI-DNJLBHFNSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-10-5-3-6-11(2)17(10)15(22)21(16(23)19-17)9-13-18-14(20-25-13)12-7-4-8-24-12/h4,7-8,10-11H,3,5-6,9H2,1-2H3,(H,19,23)/t10-,11+,17?.
What are the key properties of (6S,10R)-3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
(6S,10R)-3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 344.37 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,10R)-3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 25482818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).