2-fluoro-N-[1-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidin-4-yl]benzamide

C22H22FN3O4 — CID 86875777

About 2-fluoro-N-[1-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidin-4-yl]benzamide

2-fluoro-N-[1-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidin-4-yl]benzamide (PubChem CID 86875777) has the molecular formula C22H22FN3O4 and a molecular weight of 411.43 g/mol. Its IUPAC name is 2-fluoro-N-[1-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidin-4-yl]benzamide.

Molecular Properties

• Compound Name: 2-fluoro-N-[1-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidin-4-yl]benzamide
• PubChem CID: 86875777
• Molecular Formula: C22H22FN3O4
• Molecular Weight: 411.43 g/mol
• Exact Mass: 411.16
• IUPAC Name: 2-fluoro-N-[1-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidin-4-yl]benzamide
• SMILES: Cc1oc(-c2ccco2)nc1CC(=O)N1CCC(NC(=O)c2ccccc2F)CC1
• InChI: InChI=1S/C22H22FN3O4/c1-14-18(25-22(30-14)19-7-4-12-29-19)13-20(27)26-10-8-15(9-11-26)24-21(28)16-5-2-3-6-17(16)23/h2-7,12,15H,8-11,13H2,1H3,(H,24,28)
• InChIKey: JEHVLICGKWFVKD-UHFFFAOYSA-N
• XLogP: 3.35
• TPSA: 88.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.43
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidin-4-yl]benzamide?

The IUPAC name of 2-fluoro-N-[1-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidin-4-yl]benzamide (CID 86875777) is 2-fluoro-N-[1-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidin-4-yl]benzamide.

What is the SMILES notation for 2-fluoro-N-[1-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidin-4-yl]benzamide?

The canonical SMILES for 2-fluoro-N-[1-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidin-4-yl]benzamide is Cc1oc(-c2ccco2)nc1CC(=O)N1CCC(NC(=O)c2ccccc2F)CC1.

What is the InChIKey of 2-fluoro-N-[1-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidin-4-yl]benzamide?

The InChIKey is JEHVLICGKWFVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O4/c1-14-18(25-22(30-14)19-7-4-12-29-19)13-20(27)26-10-8-15(9-11-26)24-21(28)16-5-2-3-6-17(16)23/h2-7,12,15H,8-11,13H2,1H3,(H,24,28).

What are the key properties of 2-fluoro-N-[1-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidin-4-yl]benzamide?

2-fluoro-N-[1-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidin-4-yl]benzamide has a molecular weight of 411.43 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-N-[1-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 86875777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).