2-(2-fluorophenyl)-1-[4-[3-methyl-5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone

C35H35F4N5O3 — CID 58428505

About 2-(2-fluorophenyl)-1-[4-[3-methyl-5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone

2-(2-fluorophenyl)-1-[4-[3-methyl-5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone (PubChem CID 58428505) has the molecular formula C35H35F4N5O3 and a molecular weight of 649.69 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-[4-[3-methyl-5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(2-fluorophenyl)-1-[4-[3-methyl-5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone
• PubChem CID: 58428505
• Molecular Formula: C35H35F4N5O3
• Molecular Weight: 649.69 g/mol
• Exact Mass: 649.27
• IUPAC Name: 2-(2-fluorophenyl)-1-[4-[3-methyl-5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone
• SMILES: Cc1cc(CC(=O)c2oc(N3CCC(c4ccccc4)CC3)nc2C(F)(F)F)cnc1N1CCN(C(=O)Cc2ccccc2F)CC1
• InChI: InChI=1S/C35H35F4N5O3/c1-23-19-24(22-40-33(23)43-17-15-42(16-18-43)30(46)21-27-9-5-6-10-28(27)36)20-29(45)31-32(35(37,38)39)41-34(47-31)44-13-11-26(12-14-44)25-7-3-2-4-8-25/h2-10,19,22,26H,11-18,20-21H2,1H3
• InChIKey: VMFGZOOENKZANV-UHFFFAOYSA-N
• XLogP: 6.24
• TPSA: 82.78 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	649.69
LogP ≤ 5	6.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-[4-[3-methyl-5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone?

The IUPAC name of 2-(2-fluorophenyl)-1-[4-[3-methyl-5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone (CID 58428505) is 2-(2-fluorophenyl)-1-[4-[3-methyl-5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone.

What is the SMILES notation for 2-(2-fluorophenyl)-1-[4-[3-methyl-5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone?

The canonical SMILES for 2-(2-fluorophenyl)-1-[4-[3-methyl-5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone is Cc1cc(CC(=O)c2oc(N3CCC(c4ccccc4)CC3)nc2C(F)(F)F)cnc1N1CCN(C(=O)Cc2ccccc2F)CC1.

What is the InChIKey of 2-(2-fluorophenyl)-1-[4-[3-methyl-5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone?

The InChIKey is VMFGZOOENKZANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35F4N5O3/c1-23-19-24(22-40-33(23)43-17-15-42(16-18-43)30(46)21-27-9-5-6-10-28(27)36)20-29(45)31-32(35(37,38)39)41-34(47-31)44-13-11-26(12-14-44)25-7-3-2-4-8-25/h2-10,19,22,26H,11-18,20-21H2,1H3.

What are the key properties of 2-(2-fluorophenyl)-1-[4-[3-methyl-5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone?

2-(2-fluorophenyl)-1-[4-[3-methyl-5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone has a molecular weight of 649.69 g/mol, XLogP of 6.24, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-fluorophenyl)-1-[4-[3-methyl-5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 58428505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).