4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[2-([1,3]oxazolo[4,5-c]pyridin-2-yl)ethylcarbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide

C33H26F2N4O5 — CID 67409171

About 4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[2-([1,3]oxazolo[4,5-c]pyridin-2-yl)ethylcarbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide

4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[2-([1,3]oxazolo[4,5-c]pyridin-2-yl)ethylcarbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide (PubChem CID 67409171) has the molecular formula C33H26F2N4O5 and a molecular weight of 596.59 g/mol. Its IUPAC name is 4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[2-([1,3]oxazolo[4,5-c]pyridin-2-yl)ethylcarbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

• Compound Name: 4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[2-([1,3]oxazolo[4,5-c]pyridin-2-yl)ethylcarbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide
• PubChem CID: 67409171
• Molecular Formula: C33H26F2N4O5
• Molecular Weight: 596.59 g/mol
• Exact Mass: 596.19
• IUPAC Name: 4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[2-([1,3]oxazolo[4,5-c]pyridin-2-yl)ethylcarbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide
• SMILES: CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NCCc4nc5cnccc5o4)c(OC)cc3C)c(F)c12
• InChI: InChI=1S/C33H26F2N4O5/c1-17-14-26(42-3)22(32(40)38-13-11-27-39-23-16-37-12-10-24(23)43-27)15-21(17)20-8-9-25-28(30(20)35)29(33(41)36-2)31(44-25)18-4-6-19(34)7-5-18/h4-10,12,14-16H,11,13H2,1-3H3,(H,36,41)(H,38,40)
• InChIKey: LHDGTRRCNHMBIQ-UHFFFAOYSA-N
• XLogP: 6.23
• TPSA: 119.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	596.59
LogP ≤ 5	6.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[2-([1,3]oxazolo[4,5-c]pyridin-2-yl)ethylcarbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide?

The IUPAC name of 4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[2-([1,3]oxazolo[4,5-c]pyridin-2-yl)ethylcarbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide (CID 67409171) is 4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[2-([1,3]oxazolo[4,5-c]pyridin-2-yl)ethylcarbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide.

What is the SMILES notation for 4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[2-([1,3]oxazolo[4,5-c]pyridin-2-yl)ethylcarbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide?

The canonical SMILES for 4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[2-([1,3]oxazolo[4,5-c]pyridin-2-yl)ethylcarbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NCCc4nc5cnccc5o4)c(OC)cc3C)c(F)c12.

What is the InChIKey of 4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[2-([1,3]oxazolo[4,5-c]pyridin-2-yl)ethylcarbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide?

The InChIKey is LHDGTRRCNHMBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26F2N4O5/c1-17-14-26(42-3)22(32(40)38-13-11-27-39-23-16-37-12-10-24(23)43-27)15-21(17)20-8-9-25-28(30(20)35)29(33(41)36-2)31(44-25)18-4-6-19(34)7-5-18/h4-10,12,14-16H,11,13H2,1-3H3,(H,36,41)(H,38,40).

What are the key properties of 4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[2-([1,3]oxazolo[4,5-c]pyridin-2-yl)ethylcarbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide?

4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[2-([1,3]oxazolo[4,5-c]pyridin-2-yl)ethylcarbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide has a molecular weight of 596.59 g/mol, XLogP of 6.23, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[2-([1,3]oxazolo[4,5-c]pyridin-2-yl)ethylcarbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 67409171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).