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

C14H19N3O3 — CID 8943443

IUPAC(5S,6S)-6-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCc1cc(CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)no1
InChIInChI=1S/C14H19N3O3/c1-9-5-3-4-6-14(9)12(18)17(13(19)15-14)8-11-7-10(2)20-16-11/h7,9H,3-6,8H2,1-2H3,(H,15,19)/t9-,14-/m0/s1
InChIKeyAZWRPEGQBGQWQQ-XPTSAGLGSA-N
MW277.32 g/mol
LogP1.98
Rot. Bonds2

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

(5S,6S)-6-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 8943443) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is (5S,6S)-6-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name(5S,6S)-6-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID8943443
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name(5S,6S)-6-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCc1cc(CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)no1
InChIInChI=1S/C14H19N3O3/c1-9-5-3-4-6-14(9)12(18)17(13(19)15-14)8-11-7-10(2)20-16-11/h7,9H,3-6,8H2,1-2H3,(H,15,19)/t9-,14-/m0/s1
InChIKeyAZWRPEGQBGQWQQ-XPTSAGLGSA-N
XLogP1.98
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-oxazol-3-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9441602
2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2585053
(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
(5S,6R)-3-[(2,5-dimethylphenyl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7181629
(5R,6R)-6-methyl-3-[(3-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 40898355
(5S,6S)-3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 31055657
(5R,6S)-3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9267766
(5R,6S)-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 40971920
2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetonitrile
CID 51459819
4-[[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]benzonitrile
CID 2081807
(5S,6S)-3-[(2,5-dimethoxyphenyl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 8572009
(5R,6S)-3-[(2,5-dimethoxyphenyl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 8572012

Frequently Asked Questions

What is the IUPAC name of (5S,6S)-6-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of (5S,6S)-6-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 8943443) is (5S,6S)-6-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for (5S,6S)-6-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for (5S,6S)-6-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is Cc1cc(CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)no1.
What is the InChIKey of (5S,6S)-6-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is AZWRPEGQBGQWQQ-XPTSAGLGSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9-5-3-4-6-14(9)12(18)17(13(19)15-14)8-11-7-10(2)20-16-11/h7,9H,3-6,8H2,1-2H3,(H,15,19)/t9-,14-/m0/s1.
What are the key properties of (5S,6S)-6-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
(5S,6S)-6-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 277.32 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-6-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 8943443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).