3-[[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-methylimidazolidine-2,4-dione

C13H10F2N4O3 — CID 99824291

IUPAC3-[[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-methylimidazolidine-2,4-dione
SMILESCN1CC(=O)N(Cc2noc(-c3ccc(F)cc3F)n2)C1=O
InChIInChI=1S/C13H10F2N4O3/c1-18-6-11(20)19(13(18)21)5-10-16-12(22-17-10)8-3-2-7(14)4-9(8)15/h2-4H,5-6H2,1H3
InChIKeyYHBDRQZBTUCHEQ-UHFFFAOYSA-N
MW308.24 g/mol
LogP1.41
Rot. Bonds3

About 3-[[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-methylimidazolidine-2,4-dione

3-[[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-methylimidazolidine-2,4-dione (PubChem CID 99824291) has the molecular formula C13H10F2N4O3 and a molecular weight of 308.24 g/mol. Its IUPAC name is 3-[[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-methylimidazolidine-2,4-dione
PubChem CID99824291
Molecular FormulaC13H10F2N4O3
Molecular Weight308.24 g/mol
Exact Mass308.07
IUPAC Name3-[[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-methylimidazolidine-2,4-dione
SMILESCN1CC(=O)N(Cc2noc(-c3ccc(F)cc3F)n2)C1=O
InChIInChI=1S/C13H10F2N4O3/c1-18-6-11(20)19(13(18)21)5-10-16-12(22-17-10)8-3-2-7(14)4-9(8)15/h2-4H,5-6H2,1H3
InChIKeyYHBDRQZBTUCHEQ-UHFFFAOYSA-N
XLogP1.41
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.24
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3,3-dimethylpiperazin-2-one
CID 124621028
1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 55101679
3-[(2-amino-4-fluorophenyl)methyl]-1-methylimidazolidine-2,4-dione
CID 64768228
2-[[5-(8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]isoindole-1,3-dione
CID 22914553
5-(2,4-difluorophenyl)-3-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 166230333
1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61354112
3-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-phenylimidazolidine-2,4-dione
CID 47048861
3-[[5-[(3-bromophenyl)methyl]tetrazol-2-yl]methyl]-5-(2,4-difluorophenyl)-1,2,4-oxadiazole
CID 154840828
1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660677
1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61324177
3-(1-chloroethyl)-5-(2,4-difluorophenyl)-1,2,4-oxadiazole
CID 102661245
N-(2,4-difluorophenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 9209393

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-methylimidazolidine-2,4-dione (CID 99824291) is 3-[[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-methylimidazolidine-2,4-dione is CN1CC(=O)N(Cc2noc(-c3ccc(F)cc3F)n2)C1=O.
What is the InChIKey of 3-[[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-methylimidazolidine-2,4-dione?
The InChIKey is YHBDRQZBTUCHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N4O3/c1-18-6-11(20)19(13(18)21)5-10-16-12(22-17-10)8-3-2-7(14)4-9(8)15/h2-4H,5-6H2,1H3.
What are the key properties of 3-[[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-methylimidazolidine-2,4-dione?
3-[[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-methylimidazolidine-2,4-dione has a molecular weight of 308.24 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 99824291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).