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

C18H18N6O3 — CID 43072707

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

1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(1-methylpyrazol-3-yl)piperidine-4-carboxamide (PubChem CID 43072707) has the molecular formula C18H18N6O3 and a molecular weight of 366.38 g/mol. Its IUPAC name is 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(1-methylpyrazol-3-yl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(1-methylpyrazol-3-yl)piperidine-4-carboxamide
• PubChem CID: 43072707
• Molecular Formula: C18H18N6O3
• Molecular Weight: 366.38 g/mol
• Exact Mass: 366.14
• IUPAC Name: 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(1-methylpyrazol-3-yl)piperidine-4-carboxamide
• SMILES: Cn1ccc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1
• InChI: InChI=1S/C18H18N6O3/c1-23-7-6-15(22-23)21-16(25)12-4-8-24(9-5-12)18-13(11-19)20-17(27-18)14-3-2-10-26-14/h2-3,6-7,10,12H,4-5,8-9H2,1H3,(H,21,22,25)
• InChIKey: CDYSXOGZTNMODP-UHFFFAOYSA-N
• XLogP: 2.39
• TPSA: 113.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.38
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(1-methylpyrazol-3-yl)piperidine-4-carboxamide (CID 43072707) is 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(1-methylpyrazol-3-yl)piperidine-4-carboxamide.

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

The canonical SMILES for 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(1-methylpyrazol-3-yl)piperidine-4-carboxamide is Cn1ccc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1.

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

The InChIKey is CDYSXOGZTNMODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O3/c1-23-7-6-15(22-23)21-16(25)12-4-8-24(9-5-12)18-13(11-19)20-17(27-18)14-3-2-10-26-14/h2-3,6-7,10,12H,4-5,8-9H2,1H3,(H,21,22,25).

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

1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(1-methylpyrazol-3-yl)piperidine-4-carboxamide has a molecular weight of 366.38 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 8 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-methylpyrazol-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 43072707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).