5-[(4-fluoro-5-methoxy-1,3-dihydroisoindol-2-yl)methyl]-5-(2-methyl-3-phenyl-3H-1,2-oxazol-5-yl)imidazolidine-2,4-dione

C23H23FN4O4 — CID 91554056

About 5-[(4-fluoro-5-methoxy-1,3-dihydroisoindol-2-yl)methyl]-5-(2-methyl-3-phenyl-3H-1,2-oxazol-5-yl)imidazolidine-2,4-dione

5-[(4-fluoro-5-methoxy-1,3-dihydroisoindol-2-yl)methyl]-5-(2-methyl-3-phenyl-3H-1,2-oxazol-5-yl)imidazolidine-2,4-dione (PubChem CID 91554056) has the molecular formula C23H23FN4O4 and a molecular weight of 438.46 g/mol. Its IUPAC name is 5-[(4-fluoro-5-methoxy-1,3-dihydroisoindol-2-yl)methyl]-5-(2-methyl-3-phenyl-3H-1,2-oxazol-5-yl)imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[(4-fluoro-5-methoxy-1,3-dihydroisoindol-2-yl)methyl]-5-(2-methyl-3-phenyl-3H-1,2-oxazol-5-yl)imidazolidine-2,4-dione
• PubChem CID: 91554056
• Molecular Formula: C23H23FN4O4
• Molecular Weight: 438.46 g/mol
• Exact Mass: 438.17
• IUPAC Name: 5-[(4-fluoro-5-methoxy-1,3-dihydroisoindol-2-yl)methyl]-5-(2-methyl-3-phenyl-3H-1,2-oxazol-5-yl)imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1F)CN(CC1(C3=CC(c4ccccc4)N(C)O3)NC(=O)NC1=O)C2
• InChI: InChI=1S/C23H23FN4O4/c1-27-17(14-6-4-3-5-7-14)10-19(32-27)23(21(29)25-22(30)26-23)13-28-11-15-8-9-18(31-2)20(24)16(15)12-28/h3-10,17H,11-13H2,1-2H3,(H2,25,26,29,30)
• InChIKey: YEBZYHPKAWPTCJ-UHFFFAOYSA-N
• XLogP: 2.23
• TPSA: 83.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.46
LogP ≤ 5	2.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluoro-5-methoxy-1,3-dihydroisoindol-2-yl)methyl]-5-(2-methyl-3-phenyl-3H-1,2-oxazol-5-yl)imidazolidine-2,4-dione?

The IUPAC name of 5-[(4-fluoro-5-methoxy-1,3-dihydroisoindol-2-yl)methyl]-5-(2-methyl-3-phenyl-3H-1,2-oxazol-5-yl)imidazolidine-2,4-dione (CID 91554056) is 5-[(4-fluoro-5-methoxy-1,3-dihydroisoindol-2-yl)methyl]-5-(2-methyl-3-phenyl-3H-1,2-oxazol-5-yl)imidazolidine-2,4-dione.

What is the SMILES notation for 5-[(4-fluoro-5-methoxy-1,3-dihydroisoindol-2-yl)methyl]-5-(2-methyl-3-phenyl-3H-1,2-oxazol-5-yl)imidazolidine-2,4-dione?

The canonical SMILES for 5-[(4-fluoro-5-methoxy-1,3-dihydroisoindol-2-yl)methyl]-5-(2-methyl-3-phenyl-3H-1,2-oxazol-5-yl)imidazolidine-2,4-dione is COc1ccc2c(c1F)CN(CC1(C3=CC(c4ccccc4)N(C)O3)NC(=O)NC1=O)C2.

What is the InChIKey of 5-[(4-fluoro-5-methoxy-1,3-dihydroisoindol-2-yl)methyl]-5-(2-methyl-3-phenyl-3H-1,2-oxazol-5-yl)imidazolidine-2,4-dione?

The InChIKey is YEBZYHPKAWPTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O4/c1-27-17(14-6-4-3-5-7-14)10-19(32-27)23(21(29)25-22(30)26-23)13-28-11-15-8-9-18(31-2)20(24)16(15)12-28/h3-10,17H,11-13H2,1-2H3,(H2,25,26,29,30).

What are the key properties of 5-[(4-fluoro-5-methoxy-1,3-dihydroisoindol-2-yl)methyl]-5-(2-methyl-3-phenyl-3H-1,2-oxazol-5-yl)imidazolidine-2,4-dione?

5-[(4-fluoro-5-methoxy-1,3-dihydroisoindol-2-yl)methyl]-5-(2-methyl-3-phenyl-3H-1,2-oxazol-5-yl)imidazolidine-2,4-dione has a molecular weight of 438.46 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-fluoro-5-methoxy-1,3-dihydroisoindol-2-yl)methyl]-5-(2-methyl-3-phenyl-3H-1,2-oxazol-5-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 91554056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).