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

C22H20FN5O4S — CID 55634358

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

2-[2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide (PubChem CID 55634358) has the molecular formula C22H20FN5O4S and a molecular weight of 469.50 g/mol. Its IUPAC name is 2-[2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-oxoethyl]sulfanyl-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]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
• PubChem CID: 55634358
• Molecular Formula: C22H20FN5O4S
• Molecular Weight: 469.50 g/mol
• Exact Mass: 469.12
• IUPAC Name: 2-[2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
• SMILES: N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CSCC(=O)Nc2ccc(F)cc2)CC1
• InChI: InChI=1S/C22H20FN5O4S/c23-15-3-5-16(6-4-15)25-19(29)13-33-14-20(30)27-7-9-28(10-8-27)22-17(12-24)26-21(32-22)18-2-1-11-31-18/h1-6,11H,7-10,13-14H2,(H,25,29)
• InChIKey: YUQYSDJYRCWBMC-UHFFFAOYSA-N
• XLogP: 2.97
• TPSA: 115.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.50
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	1
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]-2-oxoethyl]sulfanyl-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]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide (CID 55634358) is 2-[2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-oxoethyl]sulfanyl-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]-2-oxoethyl]sulfanyl-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]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide is N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CSCC(=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]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide?

The InChIKey is YUQYSDJYRCWBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O4S/c23-15-3-5-16(6-4-15)25-19(29)13-33-14-20(30)27-7-9-28(10-8-27)22-17(12-24)26-21(32-22)18-2-1-11-31-18/h1-6,11H,7-10,13-14H2,(H,25,29).

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

2-[2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide has a molecular weight of 469.50 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 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]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 55634358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).