5-[3-(4-fluoro-1,3-benzoxazol-2-yl)-4-methoxyphenyl]-2-(4-fluorophenyl)-N-methyl-6-(2-oxo-1,3-oxazolidin-3-yl)-1-benzofuran-3-carboxamide

C33H23F2N3O6 — CID 67394277

About 5-[3-(4-fluoro-1,3-benzoxazol-2-yl)-4-methoxyphenyl]-2-(4-fluorophenyl)-N-methyl-6-(2-oxo-1,3-oxazolidin-3-yl)-1-benzofuran-3-carboxamide

5-[3-(4-fluoro-1,3-benzoxazol-2-yl)-4-methoxyphenyl]-2-(4-fluorophenyl)-N-methyl-6-(2-oxo-1,3-oxazolidin-3-yl)-1-benzofuran-3-carboxamide (PubChem CID 67394277) has the molecular formula C33H23F2N3O6 and a molecular weight of 595.56 g/mol. Its IUPAC name is 5-[3-(4-fluoro-1,3-benzoxazol-2-yl)-4-methoxyphenyl]-2-(4-fluorophenyl)-N-methyl-6-(2-oxo-1,3-oxazolidin-3-yl)-1-benzofuran-3-carboxamide.

Molecular Properties

• Compound Name: 5-[3-(4-fluoro-1,3-benzoxazol-2-yl)-4-methoxyphenyl]-2-(4-fluorophenyl)-N-methyl-6-(2-oxo-1,3-oxazolidin-3-yl)-1-benzofuran-3-carboxamide
• PubChem CID: 67394277
• Molecular Formula: C33H23F2N3O6
• Molecular Weight: 595.56 g/mol
• Exact Mass: 595.16
• IUPAC Name: 5-[3-(4-fluoro-1,3-benzoxazol-2-yl)-4-methoxyphenyl]-2-(4-fluorophenyl)-N-methyl-6-(2-oxo-1,3-oxazolidin-3-yl)-1-benzofuran-3-carboxamide
• SMILES: CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N3CCOC3=O)c(-c3ccc(OC)c(-c4nc5c(F)cccc5o4)c3)cc12
• InChI: InChI=1S/C33H23F2N3O6/c1-36-31(39)28-21-15-20(18-8-11-25(41-2)22(14-18)32-37-29-23(35)4-3-5-26(29)44-32)24(38-12-13-42-33(38)40)16-27(21)43-30(28)17-6-9-19(34)10-7-17/h3-11,14-16H,12-13H2,1-2H3,(H,36,39)
• InChIKey: CTISZHVPCSLZMJ-UHFFFAOYSA-N
• XLogP: 7.18
• TPSA: 107.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	595.56
LogP ≤ 5	7.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-fluoro-1,3-benzoxazol-2-yl)-4-methoxyphenyl]-2-(4-fluorophenyl)-N-methyl-6-(2-oxo-1,3-oxazolidin-3-yl)-1-benzofuran-3-carboxamide?

The IUPAC name of 5-[3-(4-fluoro-1,3-benzoxazol-2-yl)-4-methoxyphenyl]-2-(4-fluorophenyl)-N-methyl-6-(2-oxo-1,3-oxazolidin-3-yl)-1-benzofuran-3-carboxamide (CID 67394277) is 5-[3-(4-fluoro-1,3-benzoxazol-2-yl)-4-methoxyphenyl]-2-(4-fluorophenyl)-N-methyl-6-(2-oxo-1,3-oxazolidin-3-yl)-1-benzofuran-3-carboxamide.

What is the SMILES notation for 5-[3-(4-fluoro-1,3-benzoxazol-2-yl)-4-methoxyphenyl]-2-(4-fluorophenyl)-N-methyl-6-(2-oxo-1,3-oxazolidin-3-yl)-1-benzofuran-3-carboxamide?

The canonical SMILES for 5-[3-(4-fluoro-1,3-benzoxazol-2-yl)-4-methoxyphenyl]-2-(4-fluorophenyl)-N-methyl-6-(2-oxo-1,3-oxazolidin-3-yl)-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N3CCOC3=O)c(-c3ccc(OC)c(-c4nc5c(F)cccc5o4)c3)cc12.

What is the InChIKey of 5-[3-(4-fluoro-1,3-benzoxazol-2-yl)-4-methoxyphenyl]-2-(4-fluorophenyl)-N-methyl-6-(2-oxo-1,3-oxazolidin-3-yl)-1-benzofuran-3-carboxamide?

The InChIKey is CTISZHVPCSLZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23F2N3O6/c1-36-31(39)28-21-15-20(18-8-11-25(41-2)22(14-18)32-37-29-23(35)4-3-5-26(29)44-32)24(38-12-13-42-33(38)40)16-27(21)43-30(28)17-6-9-19(34)10-7-17/h3-11,14-16H,12-13H2,1-2H3,(H,36,39).

What are the key properties of 5-[3-(4-fluoro-1,3-benzoxazol-2-yl)-4-methoxyphenyl]-2-(4-fluorophenyl)-N-methyl-6-(2-oxo-1,3-oxazolidin-3-yl)-1-benzofuran-3-carboxamide?

5-[3-(4-fluoro-1,3-benzoxazol-2-yl)-4-methoxyphenyl]-2-(4-fluorophenyl)-N-methyl-6-(2-oxo-1,3-oxazolidin-3-yl)-1-benzofuran-3-carboxamide has a molecular weight of 595.56 g/mol, XLogP of 7.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(4-fluoro-1,3-benzoxazol-2-yl)-4-methoxyphenyl]-2-(4-fluorophenyl)-N-methyl-6-(2-oxo-1,3-oxazolidin-3-yl)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 67394277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).