2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide

C21H17FN4O4S — CID 46692840

IUPAC2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
SMILESCC1(c2ccccc2)NC(=O)N(NC(=O)CSc2ncc(-c3ccc(F)cc3)o2)C1=O
InChIInChI=1S/C21H17FN4O4S/c1-21(14-5-3-2-4-6-14)18(28)26(19(29)24-21)25-17(27)12-31-20-23-11-16(30-20)13-7-9-15(22)10-8-13/h2-11H,12H2,1H3,(H,24,29)(H,25,27)
InChIKeyYDMMTKGUDIBLFQ-UHFFFAOYSA-N
MW440.46 g/mol
LogP3.07
Rot. Bonds6

About 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide

2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide (PubChem CID 46692840) has the molecular formula C21H17FN4O4S and a molecular weight of 440.46 g/mol. Its IUPAC name is 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound Name2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
PubChem CID46692840
Molecular FormulaC21H17FN4O4S
Molecular Weight440.46 g/mol
Exact Mass440.10
IUPAC Name2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
SMILESCC1(c2ccccc2)NC(=O)N(NC(=O)CSc2ncc(-c3ccc(F)cc3)o2)C1=O
InChIInChI=1S/C21H17FN4O4S/c1-21(14-5-3-2-4-6-14)18(28)26(19(29)24-21)25-17(27)12-31-20-23-11-16(30-20)13-7-9-15(22)10-8-13/h2-11H,12H2,1H3,(H,24,29)(H,25,27)
InChIKeyYDMMTKGUDIBLFQ-UHFFFAOYSA-N
XLogP3.07
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.46
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-phenylacetamide
CID 50773647
2-(4-fluorophenoxy)-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 17439522
N-(4-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
CID 50773798
2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 42901724
N-(2-chlorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
CID 55495881
N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)propanamide
CID 47099545
N-(4-fluorophenyl)-2-[4-[2-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30730046
2-(3,4-dimethylphenyl)sulfanyl-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 29318902
N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3,3-diphenylpropanamide
CID 84861647
N-(4-chlorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
CID 50773689
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-methyl-N-(1-phenylethyl)acetamide
CID 46692849
N-(3,4-dimethylphenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
CID 50773608

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The IUPAC name of 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide (CID 46692840) is 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide.
What is the SMILES notation for 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The canonical SMILES for 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide is CC1(c2ccccc2)NC(=O)N(NC(=O)CSc2ncc(-c3ccc(F)cc3)o2)C1=O.
What is the InChIKey of 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The InChIKey is YDMMTKGUDIBLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O4S/c1-21(14-5-3-2-4-6-14)18(28)26(19(29)24-21)25-17(27)12-31-20-23-11-16(30-20)13-7-9-15(22)10-8-13/h2-11H,12H2,1H3,(H,24,29)(H,25,27).
What are the key properties of 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide has a molecular weight of 440.46 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 46692840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).