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

C22H22BrN5O3 — CID 43061622

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

N-[1-(4-bromophenyl)ethyl]-2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]acetamide (PubChem CID 43061622) has the molecular formula C22H22BrN5O3 and a molecular weight of 484.35 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[1-(4-bromophenyl)ethyl]-2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]acetamide
• PubChem CID: 43061622
• Molecular Formula: C22H22BrN5O3
• Molecular Weight: 484.35 g/mol
• Exact Mass: 483.09
• IUPAC Name: N-[1-(4-bromophenyl)ethyl]-2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]acetamide
• SMILES: CC(NC(=O)CN1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccc(Br)cc1
• InChI: InChI=1S/C22H22BrN5O3/c1-15(16-4-6-17(23)7-5-16)25-20(29)14-27-8-10-28(11-9-27)22-18(13-24)26-21(31-22)19-3-2-12-30-19/h2-7,12,15H,8-11,14H2,1H3,(H,25,29)
• InChIKey: FTMXHCIUGOUHEN-UHFFFAOYSA-N
• XLogP: 3.57
• TPSA: 98.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.35
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]acetamide (CID 43061622) is N-[1-(4-bromophenyl)ethyl]-2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]acetamide.

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

The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]acetamide is CC(NC(=O)CN1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccc(Br)cc1.

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

The InChIKey is FTMXHCIUGOUHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22BrN5O3/c1-15(16-4-6-17(23)7-5-16)25-20(29)14-27-8-10-28(11-9-27)22-18(13-24)26-21(31-22)19-3-2-12-30-19/h2-7,12,15H,8-11,14H2,1H3,(H,25,29).

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

N-[1-(4-bromophenyl)ethyl]-2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]acetamide has a molecular weight of 484.35 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(4-bromophenyl)ethyl]-2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]acetamide is sourced from PubChem (CID 43061622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).