5-[5-[ethyl([1,3]oxazolo[4,5-c]pyridin-2-yl)carbamoyl]-3-fluoro-2-methylphenyl]-4-fluoro-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide

C32H23F3N4O4 — CID 67408220

About 5-[5-[ethyl([1,3]oxazolo[4,5-c]pyridin-2-yl)carbamoyl]-3-fluoro-2-methylphenyl]-4-fluoro-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide

5-[5-[ethyl([1,3]oxazolo[4,5-c]pyridin-2-yl)carbamoyl]-3-fluoro-2-methylphenyl]-4-fluoro-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide (PubChem CID 67408220) has the molecular formula C32H23F3N4O4 and a molecular weight of 584.55 g/mol. Its IUPAC name is 5-[5-[ethyl([1,3]oxazolo[4,5-c]pyridin-2-yl)carbamoyl]-3-fluoro-2-methylphenyl]-4-fluoro-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

• Compound Name: 5-[5-[ethyl([1,3]oxazolo[4,5-c]pyridin-2-yl)carbamoyl]-3-fluoro-2-methylphenyl]-4-fluoro-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
• PubChem CID: 67408220
• Molecular Formula: C32H23F3N4O4
• Molecular Weight: 584.55 g/mol
• Exact Mass: 584.17
• IUPAC Name: 5-[5-[ethyl([1,3]oxazolo[4,5-c]pyridin-2-yl)carbamoyl]-3-fluoro-2-methylphenyl]-4-fluoro-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
• SMILES: CCN(C(=O)c1cc(F)c(C)c(-c2ccc3oc(-c4ccc(F)cc4)c(C(=O)NC)c3c2F)c1)c1nc2cnccc2o1
• InChI: InChI=1S/C32H23F3N4O4/c1-4-39(32-38-23-15-37-12-11-24(23)43-32)31(41)18-13-21(16(2)22(34)14-18)20-9-10-25-26(28(20)35)27(30(40)36-3)29(42-25)17-5-7-19(33)8-6-17/h5-15H,4H2,1-3H3,(H,36,40)
• InChIKey: CWLUSSXJVFNCRP-UHFFFAOYSA-N
• XLogP: 7.06
• TPSA: 101.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	584.55
LogP ≤ 5	7.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-[5-[ethyl([1,3]oxazolo[4,5-c]pyridin-2-yl)carbamoyl]-3-fluoro-2-methylphenyl]-4-fluoro-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide (CID 67408220) is 5-[5-[ethyl([1,3]oxazolo[4,5-c]pyridin-2-yl)carbamoyl]-3-fluoro-2-methylphenyl]-4-fluoro-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide.

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

The canonical SMILES for 5-[5-[ethyl([1,3]oxazolo[4,5-c]pyridin-2-yl)carbamoyl]-3-fluoro-2-methylphenyl]-4-fluoro-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide is CCN(C(=O)c1cc(F)c(C)c(-c2ccc3oc(-c4ccc(F)cc4)c(C(=O)NC)c3c2F)c1)c1nc2cnccc2o1.

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

The InChIKey is CWLUSSXJVFNCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23F3N4O4/c1-4-39(32-38-23-15-37-12-11-24(23)43-32)31(41)18-13-21(16(2)22(34)14-18)20-9-10-25-26(28(20)35)27(30(40)36-3)29(42-25)17-5-7-19(33)8-6-17/h5-15H,4H2,1-3H3,(H,36,40).

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

5-[5-[ethyl([1,3]oxazolo[4,5-c]pyridin-2-yl)carbamoyl]-3-fluoro-2-methylphenyl]-4-fluoro-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide has a molecular weight of 584.55 g/mol, XLogP of 7.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[ethyl([1,3]oxazolo[4,5-c]pyridin-2-yl)carbamoyl]-3-fluoro-2-methylphenyl]-4-fluoro-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 67408220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).