8-ethyl-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C21H25N3O4 — CID 18207948

IUPAC8-ethyl-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCCC1CCC2(CC1)NC(=O)N(Cc1coc(-c3ccc(OC)cc3)n1)C2=O
InChIInChI=1S/C21H25N3O4/c1-3-14-8-10-21(11-9-14)19(25)24(20(26)23-21)12-16-13-28-18(22-16)15-4-6-17(27-2)7-5-15/h4-7,13-14H,3,8-12H2,1-2H3,(H,23,26)
InChIKeyCQMDZFSDQVDRLS-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.74
Rot. Bonds5

About 8-ethyl-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

8-ethyl-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 18207948) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 8-ethyl-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-ethyl-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID18207948
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name8-ethyl-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCCC1CCC2(CC1)NC(=O)N(Cc1coc(-c3ccc(OC)cc3)n1)C2=O
InChIInChI=1S/C21H25N3O4/c1-3-14-8-10-21(11-9-14)19(25)24(20(26)23-21)12-16-13-28-18(22-16)15-4-6-17(27-2)7-5-15/h4-7,13-14H,3,8-12H2,1-2H3,(H,23,26)
InChIKeyCQMDZFSDQVDRLS-UHFFFAOYSA-N
XLogP3.74
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.74
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

3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 31688665
5,5-diethyl-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]imidazolidine-2,4-dione
CID 18275324
[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 24657434
(5R)-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-5-methyl-5-pyridin-3-ylimidazolidine-2,4-dione
CID 96528280
3-benzyl-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 103599854
3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 130201562
8-ethyl-3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 24617027
3'-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 46583103
3-(1,3-benzodioxol-5-ylmethyl)-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7264231
3-[[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 24623488
(5S)-3-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 52530084
1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907388

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-ethyl-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 18207948) is 8-ethyl-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-ethyl-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-ethyl-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is CCC1CCC2(CC1)NC(=O)N(Cc1coc(-c3ccc(OC)cc3)n1)C2=O.
What is the InChIKey of 8-ethyl-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is CQMDZFSDQVDRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-3-14-8-10-21(11-9-14)19(25)24(20(26)23-21)12-16-13-28-18(22-16)15-4-6-17(27-2)7-5-15/h4-7,13-14H,3,8-12H2,1-2H3,(H,23,26).
What are the key properties of 8-ethyl-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
8-ethyl-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 383.45 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 18207948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).