5-methyl-5-naphthalen-1-yl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione

C22H17N3O3S — CID 112787610

IUPAC5-methyl-5-naphthalen-1-yl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione
SMILESCC1(c2cccc3ccccc23)NC(=O)N(Cc2coc(-c3cccs3)n2)C1=O
InChIInChI=1S/C22H17N3O3S/c1-22(17-9-4-7-14-6-2-3-8-16(14)17)20(26)25(21(27)24-22)12-15-13-28-19(23-15)18-10-5-11-29-18/h2-11,13H,12H2,1H3,(H,24,27)
InChIKeyZAFQTFDZVHHEDV-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.52
Rot. Bonds4

About 5-methyl-5-naphthalen-1-yl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione

5-methyl-5-naphthalen-1-yl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione (PubChem CID 112787610) has the molecular formula C22H17N3O3S and a molecular weight of 403.46 g/mol. Its IUPAC name is 5-methyl-5-naphthalen-1-yl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-5-naphthalen-1-yl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione
PubChem CID112787610
Molecular FormulaC22H17N3O3S
Molecular Weight403.46 g/mol
Exact Mass403.10
IUPAC Name5-methyl-5-naphthalen-1-yl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione
SMILESCC1(c2cccc3ccccc23)NC(=O)N(Cc2coc(-c3cccs3)n2)C1=O
InChIInChI=1S/C22H17N3O3S/c1-22(17-9-4-7-14-6-2-3-8-16(14)17)20(26)25(21(27)24-22)12-15-13-28-19(23-15)18-10-5-11-29-18/h2-11,13H,12H2,1H3,(H,24,27)
InChIKeyZAFQTFDZVHHEDV-UHFFFAOYSA-N
XLogP4.52
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.52
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

(5S)-5-methyl-5-(4-methylphenyl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione
CID 41075128
3-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 46582960
5-methyl-5-(4-nitrophenyl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione
CID 78766976
(5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione
CID 8891641
5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione
CID 112787633
(5S)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione
CID 41023001
3-ethyl-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 42915150
5-methyl-5-naphthalen-1-yl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione
CID 51293723
(5S)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 7180024
5-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 78766969
(5S)-3-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 40789411
(5S)-5-methyl-5-naphthalen-1-yl-3-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]imidazolidine-2,4-dione
CID 11925352

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-naphthalen-1-yl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-methyl-5-naphthalen-1-yl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione (CID 112787610) is 5-methyl-5-naphthalen-1-yl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-5-naphthalen-1-yl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-5-naphthalen-1-yl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione is CC1(c2cccc3ccccc23)NC(=O)N(Cc2coc(-c3cccs3)n2)C1=O.
What is the InChIKey of 5-methyl-5-naphthalen-1-yl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is ZAFQTFDZVHHEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3S/c1-22(17-9-4-7-14-6-2-3-8-16(14)17)20(26)25(21(27)24-22)12-15-13-28-19(23-15)18-10-5-11-29-18/h2-11,13H,12H2,1H3,(H,24,27).
What are the key properties of 5-methyl-5-naphthalen-1-yl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione?
5-methyl-5-naphthalen-1-yl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 403.46 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-naphthalen-1-yl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 112787610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).