3-(5-methoxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)-1,2-oxazole-5-carboxylic acid

C14H13NO5 — CID 117439841

About 3-(5-methoxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)-1,2-oxazole-5-carboxylic acid

3-(5-methoxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)-1,2-oxazole-5-carboxylic acid (PubChem CID 117439841) has the molecular formula C14H13NO5 and a molecular weight of 275.26 g/mol. Its IUPAC name is 3-(5-methoxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

• Compound Name: 3-(5-methoxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)-1,2-oxazole-5-carboxylic acid
• PubChem CID: 117439841
• Molecular Formula: C14H13NO5
• Molecular Weight: 275.26 g/mol
• Exact Mass: 275.08
• IUPAC Name: 3-(5-methoxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)-1,2-oxazole-5-carboxylic acid
• SMILES: COc1c(C)cc2c(c1-c1cc(C(=O)O)on1)CCO2
• InChI: InChI=1S/C14H13NO5/c1-7-5-10-8(3-4-19-10)12(13(7)18-2)9-6-11(14(16)17)20-15-9/h5-6H,3-4H2,1-2H3,(H,16,17)
• InChIKey: NUUSJHMSMIFTOI-UHFFFAOYSA-N
• XLogP: 2.29
• TPSA: 81.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	275.26
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)-1,2-oxazole-5-carboxylic acid?

The IUPAC name of 3-(5-methoxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)-1,2-oxazole-5-carboxylic acid (CID 117439841) is 3-(5-methoxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)-1,2-oxazole-5-carboxylic acid.

What is the SMILES notation for 3-(5-methoxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)-1,2-oxazole-5-carboxylic acid?

The canonical SMILES for 3-(5-methoxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)-1,2-oxazole-5-carboxylic acid is COc1c(C)cc2c(c1-c1cc(C(=O)O)on1)CCO2.

What is the InChIKey of 3-(5-methoxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)-1,2-oxazole-5-carboxylic acid?

The InChIKey is NUUSJHMSMIFTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5/c1-7-5-10-8(3-4-19-10)12(13(7)18-2)9-6-11(14(16)17)20-15-9/h5-6H,3-4H2,1-2H3,(H,16,17).

What are the key properties of 3-(5-methoxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)-1,2-oxazole-5-carboxylic acid?

3-(5-methoxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 275.26 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-methoxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 117439841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).