5-ethyl-5-(4-fluorophenyl)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione

C21H19FN4O3 — CID 17478558

IUPAC5-ethyl-5-(4-fluorophenyl)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione
SMILESCCC1(c2ccc(F)cc2)NC(=O)N(Cc2nc(-c3ccccc3C)no2)C1=O
InChIInChI=1S/C21H19FN4O3/c1-3-21(14-8-10-15(22)11-9-14)19(27)26(20(28)24-21)12-17-23-18(25-29-17)16-7-5-4-6-13(16)2/h4-11H,3,12H2,1-2H3,(H,24,28)
InChIKeyKHZZWWOLSALXSM-UHFFFAOYSA-N
MW394.41 g/mol
LogP3.54
Rot. Bonds5

About 5-ethyl-5-(4-fluorophenyl)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione

5-ethyl-5-(4-fluorophenyl)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione (PubChem CID 17478558) has the molecular formula C21H19FN4O3 and a molecular weight of 394.41 g/mol. Its IUPAC name is 5-ethyl-5-(4-fluorophenyl)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-5-(4-fluorophenyl)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione
PubChem CID17478558
Molecular FormulaC21H19FN4O3
Molecular Weight394.41 g/mol
Exact Mass394.14
IUPAC Name5-ethyl-5-(4-fluorophenyl)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione
SMILESCCC1(c2ccc(F)cc2)NC(=O)N(Cc2nc(-c3ccccc3C)no2)C1=O
InChIInChI=1S/C21H19FN4O3/c1-3-21(14-8-10-15(22)11-9-14)19(27)26(20(28)24-21)12-17-23-18(25-29-17)16-7-5-4-6-13(16)2/h4-11H,3,12H2,1-2H3,(H,24,28)
InChIKeyKHZZWWOLSALXSM-UHFFFAOYSA-N
XLogP3.54
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-(4-fluorophenyl)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-ethyl-5-(4-fluorophenyl)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione (CID 17478558) is 5-ethyl-5-(4-fluorophenyl)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-ethyl-5-(4-fluorophenyl)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-ethyl-5-(4-fluorophenyl)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione is CCC1(c2ccc(F)cc2)NC(=O)N(Cc2nc(-c3ccccc3C)no2)C1=O.
What is the InChIKey of 5-ethyl-5-(4-fluorophenyl)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is KHZZWWOLSALXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O3/c1-3-21(14-8-10-15(22)11-9-14)19(27)26(20(28)24-21)12-17-23-18(25-29-17)16-7-5-4-6-13(16)2/h4-11H,3,12H2,1-2H3,(H,24,28).
What are the key properties of 5-ethyl-5-(4-fluorophenyl)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione?
5-ethyl-5-(4-fluorophenyl)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 394.41 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-(4-fluorophenyl)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 17478558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).