4-fluoro-N-[1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]piperidin-4-yl]benzamide

C24H25FN4O3 — CID 46595293

About 4-fluoro-N-[1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]piperidin-4-yl]benzamide

4-fluoro-N-[1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]piperidin-4-yl]benzamide (PubChem CID 46595293) has the molecular formula C24H25FN4O3 and a molecular weight of 436.49 g/mol. Its IUPAC name is 4-fluoro-N-[1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]piperidin-4-yl]benzamide.

Molecular Properties

• Compound Name: 4-fluoro-N-[1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]piperidin-4-yl]benzamide
• PubChem CID: 46595293
• Molecular Formula: C24H25FN4O3
• Molecular Weight: 436.49 g/mol
• Exact Mass: 436.19
• IUPAC Name: 4-fluoro-N-[1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]piperidin-4-yl]benzamide
• SMILES: Cc1cc(NC(=O)C(c2ccccc2)N2CCC(NC(=O)c3ccc(F)cc3)CC2)no1
• InChI: InChI=1S/C24H25FN4O3/c1-16-15-21(28-32-16)27-24(31)22(17-5-3-2-4-6-17)29-13-11-20(12-14-29)26-23(30)18-7-9-19(25)10-8-18/h2-10,15,20,22H,11-14H2,1H3,(H,26,30)(H,27,28,31)
• InChIKey: VVZAEKOZFIMUSU-UHFFFAOYSA-N
• XLogP: 3.70
• TPSA: 87.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.49
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 4-fluoro-N-[1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]piperidin-4-yl]benzamide (CID 46595293) is 4-fluoro-N-[1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]piperidin-4-yl]benzamide.

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

The canonical SMILES for 4-fluoro-N-[1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]piperidin-4-yl]benzamide is Cc1cc(NC(=O)C(c2ccccc2)N2CCC(NC(=O)c3ccc(F)cc3)CC2)no1.

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

The InChIKey is VVZAEKOZFIMUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O3/c1-16-15-21(28-32-16)27-24(31)22(17-5-3-2-4-6-17)29-13-11-20(12-14-29)26-23(30)18-7-9-19(25)10-8-18/h2-10,15,20,22H,11-14H2,1H3,(H,26,30)(H,27,28,31).

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

4-fluoro-N-[1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]piperidin-4-yl]benzamide has a molecular weight of 436.49 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-N-[1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 46595293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).