6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C23H23N3O5S — CID 24588160

About 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 24588160) has the molecular formula C23H23N3O5S and a molecular weight of 453.52 g/mol. Its IUPAC name is 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 24588160
• Molecular Formula: C23H23N3O5S
• Molecular Weight: 453.52 g/mol
• Exact Mass: 453.14
• IUPAC Name: 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1cc(-c2cc(C(=O)NC(C)c3ccc(S(C)(=O)=O)cc3)c3c(C)noc3n2)c(C)o1
• InChI: InChI=1S/C23H23N3O5S/c1-12-10-18(15(4)30-12)20-11-19(21-14(3)26-31-23(21)25-20)22(27)24-13(2)16-6-8-17(9-7-16)32(5,28)29/h6-11,13H,1-5H3,(H,24,27)
• InChIKey: IGMQIBUTLKENMJ-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 115.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.52
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 24588160) is 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(-c2cc(C(=O)NC(C)c3ccc(S(C)(=O)=O)cc3)c3c(C)noc3n2)c(C)o1.

What is the InChIKey of 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is IGMQIBUTLKENMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5S/c1-12-10-18(15(4)30-12)20-11-19(21-14(3)26-31-23(21)25-20)22(27)24-13(2)16-6-8-17(9-7-16)32(5,28)29/h6-11,13H,1-5H3,(H,24,27).

What are the key properties of 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 453.52 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 24588160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).