5-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine-6-carbonyl]-2-propan-2-ylisoindole-1,3-dione

C24H20FN3O4 — CID 108765620

About 5-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine-6-carbonyl]-2-propan-2-ylisoindole-1,3-dione

5-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine-6-carbonyl]-2-propan-2-ylisoindole-1,3-dione (PubChem CID 108765620) has the molecular formula C24H20FN3O4 and a molecular weight of 433.44 g/mol. Its IUPAC name is 5-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine-6-carbonyl]-2-propan-2-ylisoindole-1,3-dione.

Molecular Properties

• Compound Name: 5-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine-6-carbonyl]-2-propan-2-ylisoindole-1,3-dione
• PubChem CID: 108765620
• Molecular Formula: C24H20FN3O4
• Molecular Weight: 433.44 g/mol
• Exact Mass: 433.14
• IUPAC Name: 5-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine-6-carbonyl]-2-propan-2-ylisoindole-1,3-dione
• SMILES: CC(C)N1C(=O)c2ccc(C(=O)N3CCc4c(noc4-c4ccc(F)cc4)C3)cc2C1=O
• InChI: InChI=1S/C24H20FN3O4/c1-13(2)28-23(30)17-8-5-15(11-19(17)24(28)31)22(29)27-10-9-18-20(12-27)26-32-21(18)14-3-6-16(25)7-4-14/h3-8,11,13H,9-10,12H2,1-2H3
• InChIKey: BRJSVUODDUYWAH-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 83.72 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.44
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine-6-carbonyl]-2-propan-2-ylisoindole-1,3-dione?

The IUPAC name of 5-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine-6-carbonyl]-2-propan-2-ylisoindole-1,3-dione (CID 108765620) is 5-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine-6-carbonyl]-2-propan-2-ylisoindole-1,3-dione.

What is the SMILES notation for 5-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine-6-carbonyl]-2-propan-2-ylisoindole-1,3-dione?

The canonical SMILES for 5-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine-6-carbonyl]-2-propan-2-ylisoindole-1,3-dione is CC(C)N1C(=O)c2ccc(C(=O)N3CCc4c(noc4-c4ccc(F)cc4)C3)cc2C1=O.

What is the InChIKey of 5-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine-6-carbonyl]-2-propan-2-ylisoindole-1,3-dione?

The InChIKey is BRJSVUODDUYWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O4/c1-13(2)28-23(30)17-8-5-15(11-19(17)24(28)31)22(29)27-10-9-18-20(12-27)26-32-21(18)14-3-6-16(25)7-4-14/h3-8,11,13H,9-10,12H2,1-2H3.

What are the key properties of 5-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine-6-carbonyl]-2-propan-2-ylisoindole-1,3-dione?

5-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine-6-carbonyl]-2-propan-2-ylisoindole-1,3-dione has a molecular weight of 433.44 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine-6-carbonyl]-2-propan-2-ylisoindole-1,3-dione is sourced from PubChem (CID 108765620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).