2,2-dimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-3H-1-benzofuran-6-carboxylic acid

C15H16N2O5 — CID 67482810

About 2,2-dimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-3H-1-benzofuran-6-carboxylic acid

2,2-dimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-3H-1-benzofuran-6-carboxylic acid (PubChem CID 67482810) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is 2,2-dimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-3H-1-benzofuran-6-carboxylic acid.

Molecular Properties

• Compound Name: 2,2-dimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-3H-1-benzofuran-6-carboxylic acid
• PubChem CID: 67482810
• Molecular Formula: C15H16N2O5
• Molecular Weight: 304.30 g/mol
• Exact Mass: 304.11
• IUPAC Name: 2,2-dimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-3H-1-benzofuran-6-carboxylic acid
• SMILES: Cc1nc(COc2cc(C(=O)O)cc3c2CC(C)(C)O3)no1
• InChI: InChI=1S/C15H16N2O5/c1-8-16-13(17-22-8)7-20-11-4-9(14(18)19)5-12-10(11)6-15(2,3)21-12/h4-5H,6-7H2,1-3H3,(H,18,19)
• InChIKey: LSKQWLJELOYACS-UHFFFAOYSA-N
• XLogP: 2.37
• TPSA: 94.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	304.30
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-3H-1-benzofuran-6-carboxylic acid?

The IUPAC name of 2,2-dimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-3H-1-benzofuran-6-carboxylic acid (CID 67482810) is 2,2-dimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-3H-1-benzofuran-6-carboxylic acid.

What is the SMILES notation for 2,2-dimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-3H-1-benzofuran-6-carboxylic acid?

The canonical SMILES for 2,2-dimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-3H-1-benzofuran-6-carboxylic acid is Cc1nc(COc2cc(C(=O)O)cc3c2CC(C)(C)O3)no1.

What is the InChIKey of 2,2-dimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-3H-1-benzofuran-6-carboxylic acid?

The InChIKey is LSKQWLJELOYACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5/c1-8-16-13(17-22-8)7-20-11-4-9(14(18)19)5-12-10(11)6-15(2,3)21-12/h4-5H,6-7H2,1-3H3,(H,18,19).

What are the key properties of 2,2-dimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-3H-1-benzofuran-6-carboxylic acid?

2,2-dimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-3H-1-benzofuran-6-carboxylic acid has a molecular weight of 304.30 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-3H-1-benzofuran-6-carboxylic acid is sourced from PubChem (CID 67482810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).