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

C20H17FN4O3 — CID 18194708

IUPAC3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
SMILESCc1ccc(N2C(=O)N(Cc3nc(-c4ccc(F)cc4)no3)C(=O)C2C)cc1
InChIInChI=1S/C20H17FN4O3/c1-12-3-9-16(10-4-12)25-13(2)19(26)24(20(25)27)11-17-22-18(23-28-17)14-5-7-15(21)8-6-14/h3-10,13H,11H2,1-2H3
InChIKeyBEIFNSSQROZYEG-UHFFFAOYSA-N
MW380.38 g/mol
LogP3.54
Rot. Bonds4

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

3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione (PubChem CID 18194708) has the molecular formula C20H17FN4O3 and a molecular weight of 380.38 g/mol. Its IUPAC name is 3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
PubChem CID18194708
Molecular FormulaC20H17FN4O3
Molecular Weight380.38 g/mol
Exact Mass380.13
IUPAC Name3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
SMILESCc1ccc(N2C(=O)N(Cc3nc(-c4ccc(F)cc4)no3)C(=O)C2C)cc1
InChIInChI=1S/C20H17FN4O3/c1-12-3-9-16(10-4-12)25-13(2)19(26)24(20(25)27)11-17-22-18(23-28-17)14-5-7-15(21)8-6-14/h3-10,13H,11H2,1-2H3
InChIKeyBEIFNSSQROZYEG-UHFFFAOYSA-N
XLogP3.54
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 53.54
H-Bond Donors ≤ 50
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 3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione (CID 18194708) is 3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione is Cc1ccc(N2C(=O)N(Cc3nc(-c4ccc(F)cc4)no3)C(=O)C2C)cc1.
What is the InChIKey of 3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione?
The InChIKey is BEIFNSSQROZYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O3/c1-12-3-9-16(10-4-12)25-13(2)19(26)24(20(25)27)11-17-22-18(23-28-17)14-5-7-15(21)8-6-14/h3-10,13H,11H2,1-2H3.
What are the key properties of 3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione?
3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione has a molecular weight of 380.38 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 18194708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).