(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

C16H18N4O4 — CID 94139700

IUPAC(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
SMILESC[C@@H]1CCCC[C@@]12NC(=O)N(Cc1noc(-c3ccco3)n1)C2=O
InChIInChI=1S/C16H18N4O4/c1-10-5-2-3-7-16(10)14(21)20(15(22)18-16)9-12-17-13(24-19-12)11-6-4-8-23-11/h4,6,8,10H,2-3,5,7,9H2,1H3,(H,18,22)/t10-,16-/m1/s1
InChIKeyCFZSGWHEUAUYDG-QLJPJBMISA-N
MW330.34 g/mol
LogP2.33
Rot. Bonds3

About (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

(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 (PubChem CID 94139700) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID94139700
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Name(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
SMILESC[C@@H]1CCCC[C@@]12NC(=O)N(Cc1noc(-c3ccco3)n1)C2=O
InChIInChI=1S/C16H18N4O4/c1-10-5-2-3-7-16(10)14(21)20(15(22)18-16)9-12-17-13(24-19-12)11-6-4-8-23-11/h4,6,8,10H,2-3,5,7,9H2,1H3,(H,18,22)/t10-,16-/m1/s1
InChIKeyCFZSGWHEUAUYDG-QLJPJBMISA-N
XLogP2.33
TPSA101.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (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 with MolForge

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Related Compounds

(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
(5S)-3-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 94026653
(5S,6S)-6-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 8943443
3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 24521967
(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
(5S,6S)-3-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9451386
(5R,6R)-3-[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2110738
(5S,6S)-6-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7265698
(5R,6S)-6-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7265700
(5R,6S)-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 40971920
3-[(3,5-dimethylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,2,4-oxadiazole
CID 63874829
(5R,6R)-6-methyl-3-[(3-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 40898355

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@@H]1CCCC[C@@]12NC(=O)N(Cc1noc(-c3ccco3)n1)C2=O.
What is the InChIKey of (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?
The InChIKey is CFZSGWHEUAUYDG-QLJPJBMISA-N. The full InChI is InChI=1S/C16H18N4O4/c1-10-5-2-3-7-16(10)14(21)20(15(22)18-16)9-12-17-13(24-19-12)11-6-4-8-23-11/h4,6,8,10H,2-3,5,7,9H2,1H3,(H,18,22)/t10-,16-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 330.34 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 94139700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).