2-(4-fluorophenyl)-6-(1,3-oxazol-5-yl)-5-propan-2-yloxy-1-benzofuran-3-carboxylic acid

C21H16FNO5 — CID 142773595

About 2-(4-fluorophenyl)-6-(1,3-oxazol-5-yl)-5-propan-2-yloxy-1-benzofuran-3-carboxylic acid

2-(4-fluorophenyl)-6-(1,3-oxazol-5-yl)-5-propan-2-yloxy-1-benzofuran-3-carboxylic acid (PubChem CID 142773595) has the molecular formula C21H16FNO5 and a molecular weight of 381.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-(1,3-oxazol-5-yl)-5-propan-2-yloxy-1-benzofuran-3-carboxylic acid.

Molecular Properties

• Compound Name: 2-(4-fluorophenyl)-6-(1,3-oxazol-5-yl)-5-propan-2-yloxy-1-benzofuran-3-carboxylic acid
• PubChem CID: 142773595
• Molecular Formula: C21H16FNO5
• Molecular Weight: 381.36 g/mol
• Exact Mass: 381.10
• IUPAC Name: 2-(4-fluorophenyl)-6-(1,3-oxazol-5-yl)-5-propan-2-yloxy-1-benzofuran-3-carboxylic acid
• SMILES: CC(C)Oc1cc2c(C(=O)O)c(-c3ccc(F)cc3)oc2cc1-c1cnco1
• InChI: InChI=1S/C21H16FNO5/c1-11(2)27-16-8-15-17(7-14(16)18-9-23-10-26-18)28-20(19(15)21(24)25)12-3-5-13(22)6-4-12/h3-11H,1-2H3,(H,24,25)
• InChIKey: FFZBQWONCSYGNF-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 85.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	381.36
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-(1,3-oxazol-5-yl)-5-propan-2-yloxy-1-benzofuran-3-carboxylic acid?

The IUPAC name of 2-(4-fluorophenyl)-6-(1,3-oxazol-5-yl)-5-propan-2-yloxy-1-benzofuran-3-carboxylic acid (CID 142773595) is 2-(4-fluorophenyl)-6-(1,3-oxazol-5-yl)-5-propan-2-yloxy-1-benzofuran-3-carboxylic acid.

What is the SMILES notation for 2-(4-fluorophenyl)-6-(1,3-oxazol-5-yl)-5-propan-2-yloxy-1-benzofuran-3-carboxylic acid?

The canonical SMILES for 2-(4-fluorophenyl)-6-(1,3-oxazol-5-yl)-5-propan-2-yloxy-1-benzofuran-3-carboxylic acid is CC(C)Oc1cc2c(C(=O)O)c(-c3ccc(F)cc3)oc2cc1-c1cnco1.

What is the InChIKey of 2-(4-fluorophenyl)-6-(1,3-oxazol-5-yl)-5-propan-2-yloxy-1-benzofuran-3-carboxylic acid?

The InChIKey is FFZBQWONCSYGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FNO5/c1-11(2)27-16-8-15-17(7-14(16)18-9-23-10-26-18)28-20(19(15)21(24)25)12-3-5-13(22)6-4-12/h3-11H,1-2H3,(H,24,25).

What are the key properties of 2-(4-fluorophenyl)-6-(1,3-oxazol-5-yl)-5-propan-2-yloxy-1-benzofuran-3-carboxylic acid?

2-(4-fluorophenyl)-6-(1,3-oxazol-5-yl)-5-propan-2-yloxy-1-benzofuran-3-carboxylic acid has a molecular weight of 381.36 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluorophenyl)-6-(1,3-oxazol-5-yl)-5-propan-2-yloxy-1-benzofuran-3-carboxylic acid is sourced from PubChem (CID 142773595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).