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

C26H30N4O3 — CID 43062787

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

1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[1-[4-(2-methylpropyl)phenyl]ethyl]piperidine-4-carboxamide (PubChem CID 43062787) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[1-[4-(2-methylpropyl)phenyl]ethyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[1-[4-(2-methylpropyl)phenyl]ethyl]piperidine-4-carboxamide
• PubChem CID: 43062787
• Molecular Formula: C26H30N4O3
• Molecular Weight: 446.55 g/mol
• Exact Mass: 446.23
• IUPAC Name: 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[1-[4-(2-methylpropyl)phenyl]ethyl]piperidine-4-carboxamide
• SMILES: CC(C)Cc1ccc(C(C)NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1
• InChI: InChI=1S/C26H30N4O3/c1-17(2)15-19-6-8-20(9-7-19)18(3)28-24(31)21-10-12-30(13-11-21)26-22(16-27)29-25(33-26)23-5-4-14-32-23/h4-9,14,17-18,21H,10-13,15H2,1-3H3,(H,28,31)
• InChIKey: ZZRMGEVSXJNICK-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 95.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.55
LogP ≤ 5	5.10
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-[4-(2-methylpropyl)phenyl]ethyl]piperidine-4-carboxamide?

The IUPAC name of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[1-[4-(2-methylpropyl)phenyl]ethyl]piperidine-4-carboxamide (CID 43062787) is 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[1-[4-(2-methylpropyl)phenyl]ethyl]piperidine-4-carboxamide.

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

The canonical SMILES for 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[1-[4-(2-methylpropyl)phenyl]ethyl]piperidine-4-carboxamide is CC(C)Cc1ccc(C(C)NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1.

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

The InChIKey is ZZRMGEVSXJNICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-17(2)15-19-6-8-20(9-7-19)18(3)28-24(31)21-10-12-30(13-11-21)26-22(16-27)29-25(33-26)23-5-4-14-32-23/h4-9,14,17-18,21H,10-13,15H2,1-3H3,(H,28,31).

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

1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[1-[4-(2-methylpropyl)phenyl]ethyl]piperidine-4-carboxamide has a molecular weight of 446.55 g/mol, XLogP of 5.10, 7 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-[4-(2-methylpropyl)phenyl]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 43062787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).