2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-(3-phenoxyphenyl)acetamide

C26H23N5O4 — CID 55591536

About 2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-(3-phenoxyphenyl)acetamide

2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-(3-phenoxyphenyl)acetamide (PubChem CID 55591536) has the molecular formula C26H23N5O4 and a molecular weight of 469.50 g/mol. Its IUPAC name is 2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-(3-phenoxyphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-(3-phenoxyphenyl)acetamide
• PubChem CID: 55591536
• Molecular Formula: C26H23N5O4
• Molecular Weight: 469.50 g/mol
• Exact Mass: 469.18
• IUPAC Name: 2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-(3-phenoxyphenyl)acetamide
• SMILES: N#Cc1nc(-c2ccco2)oc1N1CCN(CC(=O)Nc2cccc(Oc3ccccc3)c2)CC1
• InChI: InChI=1S/C26H23N5O4/c27-17-22-26(35-25(29-22)23-10-5-15-33-23)31-13-11-30(12-14-31)18-24(32)28-19-6-4-9-21(16-19)34-20-7-2-1-3-8-20/h1-10,15-16H,11-14,18H2,(H,28,32)
• InChIKey: YEYXUVKZIORNFW-UHFFFAOYSA-N
• XLogP: 4.36
• TPSA: 107.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.50
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-(3-phenoxyphenyl)acetamide?

The IUPAC name of 2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-(3-phenoxyphenyl)acetamide (CID 55591536) is 2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-(3-phenoxyphenyl)acetamide.

What is the SMILES notation for 2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-(3-phenoxyphenyl)acetamide?

The canonical SMILES for 2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-(3-phenoxyphenyl)acetamide is N#Cc1nc(-c2ccco2)oc1N1CCN(CC(=O)Nc2cccc(Oc3ccccc3)c2)CC1.

What is the InChIKey of 2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-(3-phenoxyphenyl)acetamide?

The InChIKey is YEYXUVKZIORNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O4/c27-17-22-26(35-25(29-22)23-10-5-15-33-23)31-13-11-30(12-14-31)18-24(32)28-19-6-4-9-21(16-19)34-20-7-2-1-3-8-20/h1-10,15-16H,11-14,18H2,(H,28,32).

What are the key properties of 2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-(3-phenoxyphenyl)acetamide?

2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-(3-phenoxyphenyl)acetamide has a molecular weight of 469.50 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-(3-phenoxyphenyl)acetamide is sourced from PubChem (CID 55591536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).