N-(4-bromo-2-fluorophenyl)-3-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]propanamide

C21H19BrFN5O3 — CID 30891820

About N-(4-bromo-2-fluorophenyl)-3-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]propanamide

N-(4-bromo-2-fluorophenyl)-3-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]propanamide (PubChem CID 30891820) has the molecular formula C21H19BrFN5O3 and a molecular weight of 488.32 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-3-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]propanamide.

Molecular Properties

• Compound Name: N-(4-bromo-2-fluorophenyl)-3-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]propanamide
• PubChem CID: 30891820
• Molecular Formula: C21H19BrFN5O3
• Molecular Weight: 488.32 g/mol
• Exact Mass: 487.07
• IUPAC Name: N-(4-bromo-2-fluorophenyl)-3-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]propanamide
• SMILES: N#Cc1nc(-c2ccco2)oc1N1CCN(CCC(=O)Nc2ccc(Br)cc2F)CC1
• InChI: InChI=1S/C21H19BrFN5O3/c22-14-3-4-16(15(23)12-14)25-19(29)5-6-27-7-9-28(10-8-27)21-17(13-24)26-20(31-21)18-2-1-11-30-18/h1-4,11-12H,5-10H2,(H,25,29)
• InChIKey: GYLQVDFRSQUDBI-UHFFFAOYSA-N
• XLogP: 3.86
• 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	488.32
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-(4-bromo-2-fluorophenyl)-3-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]propanamide (CID 30891820) is N-(4-bromo-2-fluorophenyl)-3-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]propanamide.

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

The canonical SMILES for N-(4-bromo-2-fluorophenyl)-3-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]propanamide is N#Cc1nc(-c2ccco2)oc1N1CCN(CCC(=O)Nc2ccc(Br)cc2F)CC1.

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

The InChIKey is GYLQVDFRSQUDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrFN5O3/c22-14-3-4-16(15(23)12-14)25-19(29)5-6-27-7-9-28(10-8-27)21-17(13-24)26-20(31-21)18-2-1-11-30-18/h1-4,11-12H,5-10H2,(H,25,29).

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

N-(4-bromo-2-fluorophenyl)-3-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]propanamide has a molecular weight of 488.32 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-bromo-2-fluorophenyl)-3-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]propanamide is sourced from PubChem (CID 30891820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).