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

C23H23N3O3 — CID 171315369

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

6-(furan-2-yl)-N-(3-methylbutyl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 171315369) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 6-(furan-2-yl)-N-(3-methylbutyl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 6-(furan-2-yl)-N-(3-methylbutyl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 171315369
• Molecular Formula: C23H23N3O3
• Molecular Weight: 389.46 g/mol
• Exact Mass: 389.17
• IUPAC Name: 6-(furan-2-yl)-N-(3-methylbutyl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1ccc(-c2noc3nc(-c4ccco4)cc(C(=O)NCCC(C)C)c23)cc1
• InChI: InChI=1S/C23H23N3O3/c1-14(2)10-11-24-22(27)17-13-18(19-5-4-12-28-19)25-23-20(17)21(26-29-23)16-8-6-15(3)7-9-16/h4-9,12-14H,10-11H2,1-3H3,(H,24,27)
• InChIKey: UGGAPCSEZHPNFJ-UHFFFAOYSA-N
• XLogP: 5.23
• TPSA: 81.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	389.46
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 6-(furan-2-yl)-N-(3-methylbutyl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 171315369) is 6-(furan-2-yl)-N-(3-methylbutyl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

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

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

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

The InChIKey is UGGAPCSEZHPNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-14(2)10-11-24-22(27)17-13-18(19-5-4-12-28-19)25-23-20(17)21(26-29-23)16-8-6-15(3)7-9-16/h4-9,12-14H,10-11H2,1-3H3,(H,24,27).

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

6-(furan-2-yl)-N-(3-methylbutyl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(furan-2-yl)-N-(3-methylbutyl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 171315369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).