1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide

C25H28N4O4 — CID 56562758

About 1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide

1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide (PubChem CID 56562758) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is 1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
• PubChem CID: 56562758
• Molecular Formula: C25H28N4O4
• Molecular Weight: 448.52 g/mol
• Exact Mass: 448.21
• IUPAC Name: 1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
• SMILES: Cc1cc(NC(=O)C2CCN(C(=O)c3ccoc3CN3c4ccccc4CC3C)CC2)no1
• InChI: InChI=1S/C25H28N4O4/c1-16-13-19-5-3-4-6-21(19)29(16)15-22-20(9-12-32-22)25(31)28-10-7-18(8-11-28)24(30)26-23-14-17(2)33-27-23/h3-6,9,12,14,16,18H,7-8,10-11,13,15H2,1-2H3,(H,26,27,30)
• InChIKey: WSJUBPNKCROXKB-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 91.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.52
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?

The IUPAC name of 1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide (CID 56562758) is 1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide.

What is the SMILES notation for 1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?

The canonical SMILES for 1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide is Cc1cc(NC(=O)C2CCN(C(=O)c3ccoc3CN3c4ccccc4CC3C)CC2)no1.

What is the InChIKey of 1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?

The InChIKey is WSJUBPNKCROXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-16-13-19-5-3-4-6-21(19)29(16)15-22-20(9-12-32-22)25(31)28-10-7-18(8-11-28)24(30)26-23-14-17(2)33-27-23/h3-6,9,12,14,16,18H,7-8,10-11,13,15H2,1-2H3,(H,26,27,30).

What are the key properties of 1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?

1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide has a molecular weight of 448.52 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 56562758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).