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

C22H21FN6O4 — CID 30870238

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

2-[[2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide (PubChem CID 30870238) has the molecular formula C22H21FN6O4 and a molecular weight of 452.45 g/mol. Its IUPAC name is 2-[[2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide.

Molecular Properties

• Compound Name: 2-[[2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide
• PubChem CID: 30870238
• Molecular Formula: C22H21FN6O4
• Molecular Weight: 452.45 g/mol
• Exact Mass: 452.16
• IUPAC Name: 2-[[2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide
• SMILES: N#Cc1nc(-c2ccco2)oc1N1CCN(CC(=O)NCC(=O)Nc2ccc(F)cc2)CC1
• InChI: InChI=1S/C22H21FN6O4/c23-15-3-5-16(6-4-15)26-19(30)13-25-20(31)14-28-7-9-29(10-8-28)22-17(12-24)27-21(33-22)18-2-1-11-32-18/h1-6,11H,7-10,13-14H2,(H,25,31)(H,26,30)
• InChIKey: PQAUBSGSADYSKQ-UHFFFAOYSA-N
• XLogP: 1.82
• TPSA: 127.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.45
LogP ≤ 5	1.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-[[2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide (CID 30870238) is 2-[[2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide.

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

The canonical SMILES for 2-[[2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide is N#Cc1nc(-c2ccco2)oc1N1CCN(CC(=O)NCC(=O)Nc2ccc(F)cc2)CC1.

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

The InChIKey is PQAUBSGSADYSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6O4/c23-15-3-5-16(6-4-15)26-19(30)13-25-20(31)14-28-7-9-29(10-8-28)22-17(12-24)27-21(33-22)18-2-1-11-32-18/h1-6,11H,7-10,13-14H2,(H,25,31)(H,26,30).

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

2-[[2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide has a molecular weight of 452.45 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 30870238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).