3-(4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)-1,2-oxazole-5-carboxylic acid

C15H15NO5 — CID 117467169

About 3-(4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)-1,2-oxazole-5-carboxylic acid

3-(4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)-1,2-oxazole-5-carboxylic acid (PubChem CID 117467169) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is 3-(4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

• Compound Name: 3-(4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)-1,2-oxazole-5-carboxylic acid
• PubChem CID: 117467169
• Molecular Formula: C15H15NO5
• Molecular Weight: 289.29 g/mol
• Exact Mass: 289.10
• IUPAC Name: 3-(4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)-1,2-oxazole-5-carboxylic acid
• SMILES: COc1cc(-c2cc(C(=O)O)on2)c(OC)c2c1CCC2
• InChI: InChI=1S/C15H15NO5/c1-19-12-6-10(11-7-13(15(17)18)21-16-11)14(20-2)9-5-3-4-8(9)12/h6-7H,3-5H2,1-2H3,(H,17,18)
• InChIKey: ILBLAOPFBGDAAG-UHFFFAOYSA-N
• XLogP: 2.55
• TPSA: 81.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	289.29
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)-1,2-oxazole-5-carboxylic acid?

The IUPAC name of 3-(4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)-1,2-oxazole-5-carboxylic acid (CID 117467169) is 3-(4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)-1,2-oxazole-5-carboxylic acid.

What is the SMILES notation for 3-(4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)-1,2-oxazole-5-carboxylic acid?

The canonical SMILES for 3-(4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)-1,2-oxazole-5-carboxylic acid is COc1cc(-c2cc(C(=O)O)on2)c(OC)c2c1CCC2.

What is the InChIKey of 3-(4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)-1,2-oxazole-5-carboxylic acid?

The InChIKey is ILBLAOPFBGDAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5/c1-19-12-6-10(11-7-13(15(17)18)21-16-11)14(20-2)9-5-3-4-8(9)12/h6-7H,3-5H2,1-2H3,(H,17,18).

What are the key properties of 3-(4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)-1,2-oxazole-5-carboxylic acid?

3-(4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 289.29 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 117467169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).