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

C24H30N4O3 — CID 56568829

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

6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 56568829) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 56568829
• Molecular Formula: C24H30N4O3
• Molecular Weight: 422.53 g/mol
• Exact Mass: 422.23
• IUPAC Name: 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• SMILES: CC(C)=CCN1CCC(NC(=O)c2cc(-c3cc(C)oc3C)nc3onc(C)c23)CC1
• InChI: InChI=1S/C24H30N4O3/c1-14(2)6-9-28-10-7-18(8-11-28)25-23(29)20-13-21(19-12-15(3)30-17(19)5)26-24-22(20)16(4)27-31-24/h6,12-13,18H,7-11H2,1-5H3,(H,25,29)
• InChIKey: PKGLDTDWKJLCQF-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 84.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.53
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 56568829) is 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-[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-(3-methylbut-2-enyl)piperidin-4-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CC(C)=CCN1CCC(NC(=O)c2cc(-c3cc(C)oc3C)nc3onc(C)c23)CC1.

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

The InChIKey is PKGLDTDWKJLCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-14(2)6-9-28-10-7-18(8-11-28)25-23(29)20-13-21(19-12-15(3)30-17(19)5)26-24-22(20)16(4)27-31-24/h6,12-13,18H,7-11H2,1-5H3,(H,25,29).

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

6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 56568829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).