(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-1,3-oxazolidine-2,4-dione

C29H27FN4O4 — CID 71549829

About (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-1,3-oxazolidine-2,4-dione

(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-1,3-oxazolidine-2,4-dione (PubChem CID 71549829) has the molecular formula C29H27FN4O4 and a molecular weight of 514.56 g/mol. Its IUPAC name is (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-1,3-oxazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-1,3-oxazolidine-2,4-dione
• PubChem CID: 71549829
• Molecular Formula: C29H27FN4O4
• Molecular Weight: 514.56 g/mol
• Exact Mass: 514.20
• IUPAC Name: (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-1,3-oxazolidine-2,4-dione
• SMILES: C[C@H](c1ccc(F)cc1)N1C(=O)O[C@](Cc2ccccc2)(c2nc3ccc(N4CCOCC4)cc3[nH]2)C1=O
• InChI: InChI=1S/C29H27FN4O4/c1-19(21-7-9-22(30)10-8-21)34-27(35)29(38-28(34)36,18-20-5-3-2-4-6-20)26-31-24-12-11-23(17-25(24)32-26)33-13-15-37-16-14-33/h2-12,17,19H,13-16,18H2,1H3,(H,31,32)/t19-,29-/m1/s1
• InChIKey: IRAXFIAWXJVVGU-SONOPUAISA-N
• XLogP: 4.72
• TPSA: 87.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.56
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-1,3-oxazolidine-2,4-dione?

The IUPAC name of (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-1,3-oxazolidine-2,4-dione (CID 71549829) is (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-1,3-oxazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-1,3-oxazolidine-2,4-dione?

The canonical SMILES for (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-1,3-oxazolidine-2,4-dione is C[C@H](c1ccc(F)cc1)N1C(=O)O[C@](Cc2ccccc2)(c2nc3ccc(N4CCOCC4)cc3[nH]2)C1=O.

What is the InChIKey of (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-1,3-oxazolidine-2,4-dione?

The InChIKey is IRAXFIAWXJVVGU-SONOPUAISA-N. The full InChI is InChI=1S/C29H27FN4O4/c1-19(21-7-9-22(30)10-8-21)34-27(35)29(38-28(34)36,18-20-5-3-2-4-6-20)26-31-24-12-11-23(17-25(24)32-26)33-13-15-37-16-14-33/h2-12,17,19H,13-16,18H2,1H3,(H,31,32)/t19-,29-/m1/s1.

What are the key properties of (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-1,3-oxazolidine-2,4-dione?

(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-1,3-oxazolidine-2,4-dione has a molecular weight of 514.56 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 71549829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).