1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(1-naphthalen-1-ylethyl)piperidine-4-carboxamide

C26H24N4O3 — CID 46437892

About 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(1-naphthalen-1-ylethyl)piperidine-4-carboxamide

1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(1-naphthalen-1-ylethyl)piperidine-4-carboxamide (PubChem CID 46437892) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(1-naphthalen-1-ylethyl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(1-naphthalen-1-ylethyl)piperidine-4-carboxamide
• PubChem CID: 46437892
• Molecular Formula: C26H24N4O3
• Molecular Weight: 440.50 g/mol
• Exact Mass: 440.18
• IUPAC Name: 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(1-naphthalen-1-ylethyl)piperidine-4-carboxamide
• SMILES: CC(NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1cccc2ccccc12
• InChI: InChI=1S/C26H24N4O3/c1-17(20-9-4-7-18-6-2-3-8-21(18)20)28-24(31)19-11-13-30(14-12-19)26-22(16-27)29-25(33-26)23-10-5-15-32-23/h2-10,15,17,19H,11-14H2,1H3,(H,28,31)
• InChIKey: LMCJZKIJKIRUFK-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 95.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	440.50
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(1-naphthalen-1-ylethyl)piperidine-4-carboxamide (CID 46437892) is 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(1-naphthalen-1-ylethyl)piperidine-4-carboxamide.

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

The canonical SMILES for 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(1-naphthalen-1-ylethyl)piperidine-4-carboxamide is CC(NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1cccc2ccccc12.

What is the InChIKey of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(1-naphthalen-1-ylethyl)piperidine-4-carboxamide?

The InChIKey is LMCJZKIJKIRUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-17(20-9-4-7-18-6-2-3-8-21(18)20)28-24(31)19-11-13-30(14-12-19)26-22(16-27)29-25(33-26)23-10-5-15-32-23/h2-10,15,17,19H,11-14H2,1H3,(H,28,31).

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

1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(1-naphthalen-1-ylethyl)piperidine-4-carboxamide has a molecular weight of 440.50 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(1-naphthalen-1-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 46437892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).