5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-6-methoxy-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide

C33H24F2N4O5 — CID 89434414

About 5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-6-methoxy-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide

5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-6-methoxy-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide (PubChem CID 89434414) has the molecular formula C33H24F2N4O5 and a molecular weight of 594.57 g/mol. Its IUPAC name is 5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-6-methoxy-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide.

Molecular Properties

• Compound Name: 5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-6-methoxy-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide
• PubChem CID: 89434414
• Molecular Formula: C33H24F2N4O5
• Molecular Weight: 594.57 g/mol
• Exact Mass: 594.17
• IUPAC Name: 5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-6-methoxy-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide
• SMILES: CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N3CCCC3=O)c(-c3cnc(OC)c(-c4nc5c(F)cccc5o4)c3)cc12
• InChI: InChI=1S/C33H24F2N4O5/c1-36-31(41)28-21-14-20(18-13-22(32(42-2)37-16-18)33-38-29-23(35)5-3-6-25(29)44-33)24(39-12-4-7-27(39)40)15-26(21)43-30(28)17-8-10-19(34)11-9-17/h3,5-6,8-11,13-16H,4,7,12H2,1-2H3,(H,36,41)
• InChIKey: SDTNMUFWOLCVLP-UHFFFAOYSA-N
• XLogP: 6.74
• TPSA: 110.70 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	594.57
LogP ≤ 5	6.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-6-methoxy-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide (CID 89434414) is 5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-6-methoxy-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide.

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

The canonical SMILES for 5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-6-methoxy-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N3CCCC3=O)c(-c3cnc(OC)c(-c4nc5c(F)cccc5o4)c3)cc12.

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

The InChIKey is SDTNMUFWOLCVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24F2N4O5/c1-36-31(41)28-21-14-20(18-13-22(32(42-2)37-16-18)33-38-29-23(35)5-3-6-25(29)44-33)24(39-12-4-7-27(39)40)15-26(21)43-30(28)17-8-10-19(34)11-9-17/h3,5-6,8-11,13-16H,4,7,12H2,1-2H3,(H,36,41).

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

5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-6-methoxy-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide has a molecular weight of 594.57 g/mol, XLogP of 6.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-6-methoxy-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 89434414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).