6-(furan-2-yl)-N-(furan-2-ylmethyl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C23H17N3O4 — CID 171315319

About 6-(furan-2-yl)-N-(furan-2-ylmethyl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

6-(furan-2-yl)-N-(furan-2-ylmethyl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 171315319) has the molecular formula C23H17N3O4 and a molecular weight of 399.41 g/mol. Its IUPAC name is 6-(furan-2-yl)-N-(furan-2-ylmethyl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 6-(furan-2-yl)-N-(furan-2-ylmethyl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 171315319
• Molecular Formula: C23H17N3O4
• Molecular Weight: 399.41 g/mol
• Exact Mass: 399.12
• IUPAC Name: 6-(furan-2-yl)-N-(furan-2-ylmethyl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1ccc(-c2noc3nc(-c4ccco4)cc(C(=O)NCc4ccco4)c23)cc1
• InChI: InChI=1S/C23H17N3O4/c1-14-6-8-15(9-7-14)21-20-17(22(27)24-13-16-4-2-10-28-16)12-18(19-5-3-11-29-19)25-23(20)30-26-21/h2-12H,13H2,1H3,(H,24,27)
• InChIKey: ZHMHDFHDIQHWGX-UHFFFAOYSA-N
• XLogP: 4.98
• TPSA: 94.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.41
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-N-(furan-2-ylmethyl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of 6-(furan-2-yl)-N-(furan-2-ylmethyl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 171315319) is 6-(furan-2-yl)-N-(furan-2-ylmethyl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 6-(furan-2-yl)-N-(furan-2-ylmethyl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for 6-(furan-2-yl)-N-(furan-2-ylmethyl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1ccc(-c2noc3nc(-c4ccco4)cc(C(=O)NCc4ccco4)c23)cc1.

What is the InChIKey of 6-(furan-2-yl)-N-(furan-2-ylmethyl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is ZHMHDFHDIQHWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O4/c1-14-6-8-15(9-7-14)21-20-17(22(27)24-13-16-4-2-10-28-16)12-18(19-5-3-11-29-19)25-23(20)30-26-21/h2-12H,13H2,1H3,(H,24,27).

What are the key properties of 6-(furan-2-yl)-N-(furan-2-ylmethyl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

6-(furan-2-yl)-N-(furan-2-ylmethyl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 399.41 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(furan-2-yl)-N-(furan-2-ylmethyl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 171315319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).