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

C26H20FN7O3 — CID 71549694

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

(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[6-(tetrazol-1-yl)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione (PubChem CID 71549694) has the molecular formula C26H20FN7O3 and a molecular weight of 497.49 g/mol. Its IUPAC name is (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[6-(tetrazol-1-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-(tetrazol-1-yl)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione
• PubChem CID: 71549694
• Molecular Formula: C26H20FN7O3
• Molecular Weight: 497.49 g/mol
• Exact Mass: 497.16
• IUPAC Name: (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[6-(tetrazol-1-yl)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione
• SMILES: C[C@H](c1ccc(F)cc1)N1C(=O)O[C@](Cc2ccccc2)(c2nc3ccc(-n4cnnn4)cc3[nH]2)C1=O
• InChI: InChI=1S/C26H20FN7O3/c1-16(18-7-9-19(27)10-8-18)34-24(35)26(37-25(34)36,14-17-5-3-2-4-6-17)23-29-21-12-11-20(13-22(21)30-23)33-15-28-31-32-33/h2-13,15-16H,14H2,1H3,(H,29,30)/t16-,26-/m1/s1
• InChIKey: UVLUPJRPXNWMIV-AKJBCIBTSA-N
• XLogP: 3.86
• TPSA: 118.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.49
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[6-(tetrazol-1-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-(tetrazol-1-yl)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione (CID 71549694) is (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[6-(tetrazol-1-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-(tetrazol-1-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-(tetrazol-1-yl)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione is C[C@H](c1ccc(F)cc1)N1C(=O)O[C@](Cc2ccccc2)(c2nc3ccc(-n4cnnn4)cc3[nH]2)C1=O.

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

The InChIKey is UVLUPJRPXNWMIV-AKJBCIBTSA-N. The full InChI is InChI=1S/C26H20FN7O3/c1-16(18-7-9-19(27)10-8-18)34-24(35)26(37-25(34)36,14-17-5-3-2-4-6-17)23-29-21-12-11-20(13-22(21)30-23)33-15-28-31-32-33/h2-13,15-16H,14H2,1H3,(H,29,30)/t16-,26-/m1/s1.

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

(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[6-(tetrazol-1-yl)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione has a molecular weight of 497.49 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[6-(tetrazol-1-yl)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 71549694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).