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

C17H19N3O4 — CID 9441602

IUPAC(5R,6R)-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESC[C@@H]1CCCC[C@@]12NC(=O)N(Cc1cc(-c3ccco3)on1)C2=O
InChIInChI=1S/C17H19N3O4/c1-11-5-2-3-7-17(11)15(21)20(16(22)18-17)10-12-9-14(24-19-12)13-6-4-8-23-13/h4,6,8-9,11H,2-3,5,7,10H2,1H3,(H,18,22)/t11-,17-/m1/s1
InChIKeyMONQIOUWJMNZTI-PIGZYNQJSA-N
MW329.36 g/mol
LogP2.94
Rot. Bonds3

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

(5R,6R)-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 9441602) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is (5R,6R)-3-[[5-(furan-2-yl)-1,2-oxazol-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-oxazol-3-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID9441602
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name(5R,6R)-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESC[C@@H]1CCCC[C@@]12NC(=O)N(Cc1cc(-c3ccco3)on1)C2=O
InChIInChI=1S/C17H19N3O4/c1-11-5-2-3-7-17(11)15(21)20(16(22)18-17)10-12-9-14(24-19-12)13-6-4-8-23-13/h4,6,8-9,11H,2-3,5,7,10H2,1H3,(H,18,22)/t11-,17-/m1/s1
InChIKeyMONQIOUWJMNZTI-PIGZYNQJSA-N
XLogP2.94
TPSA88.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(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
(5S,6S)-6-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 8943443
(3S)-3'-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 9318987
(5R)-5-(2,3-dihydro-1H-inden-5-yl)-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 9441594
(5S)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 9320008
(5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 9320014
(5R,6S)-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 40971920
(5R,6R)-6-methyl-3-[(3-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 40898355
(5R,6R)-6-methyl-3-[(2-phenyltriazol-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 51951203
3-[(3-chlorophenyl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 3330388
2-[(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]benzonitrile
CID 3984831
(5S,6S)-6-methyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 40973285

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-3-[[5-(furan-2-yl)-1,2-oxazol-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-oxazol-3-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 9441602) is (5R,6R)-3-[[5-(furan-2-yl)-1,2-oxazol-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-oxazol-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-oxazol-3-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is C[C@@H]1CCCC[C@@]12NC(=O)N(Cc1cc(-c3ccco3)on1)C2=O.
What is the InChIKey of (5R,6R)-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is MONQIOUWJMNZTI-PIGZYNQJSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-11-5-2-3-7-17(11)15(21)20(16(22)18-17)10-12-9-14(24-19-12)13-6-4-8-23-13/h4,6,8-9,11H,2-3,5,7,10H2,1H3,(H,18,22)/t11-,17-/m1/s1.
What are the key properties of (5R,6R)-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
(5R,6R)-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 329.36 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 9441602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).