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

C25H24N6O4 — CID 55854504

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

1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]piperidine-4-carboxamide (PubChem CID 55854504) has the molecular formula C25H24N6O4 and a molecular weight of 472.51 g/mol. Its IUPAC name is 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]piperidine-4-carboxamide
• PubChem CID: 55854504
• Molecular Formula: C25H24N6O4
• Molecular Weight: 472.51 g/mol
• Exact Mass: 472.19
• IUPAC Name: 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]piperidine-4-carboxamide
• SMILES: Cn1ccnc1COc1ccc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1
• InChI: InChI=1S/C25H24N6O4/c1-30-13-10-27-22(30)16-34-19-6-4-18(5-7-19)28-23(32)17-8-11-31(12-9-17)25-20(15-26)29-24(35-25)21-3-2-14-33-21/h2-7,10,13-14,17H,8-9,11-12,16H2,1H3,(H,28,32)
• InChIKey: TVSXTUWGQTUERA-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 122.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.51
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]piperidine-4-carboxamide (CID 55854504) is 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]piperidine-4-carboxamide.

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

The canonical SMILES for 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]piperidine-4-carboxamide is Cn1ccnc1COc1ccc(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-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]piperidine-4-carboxamide?

The InChIKey is TVSXTUWGQTUERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O4/c1-30-13-10-27-22(30)16-34-19-6-4-18(5-7-19)28-23(32)17-8-11-31(12-9-17)25-20(15-26)29-24(35-25)21-3-2-14-33-21/h2-7,10,13-14,17H,8-9,11-12,16H2,1H3,(H,28,32).

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

1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]piperidine-4-carboxamide has a molecular weight of 472.51 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 9 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-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 55854504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).