2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(2-methoxyphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;bis(2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(4-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone)

C105H105F12N15O10 — CID 123395612

About 2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(2-methoxyphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;bis(2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(4-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone)

2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(2-methoxyphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;bis(2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(4-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone) (PubChem CID 123395612) has the molecular formula C105H105F12N15O10 and a molecular weight of 1965.07 g/mol. Its IUPAC name is 2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(2-methoxyphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;bis(2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(4-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone).

Molecular Properties

• Compound Name: 2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(2-methoxyphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;bis(2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(4-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone)
• PubChem CID: 123395612
• Molecular Formula: C105H105F12N15O10
• Molecular Weight: 1965.07 g/mol
• Exact Mass: 1963.80
• IUPAC Name: 2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(2-methoxyphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;bis(2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(4-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone)
• SMILES: COc1ccccc1C1CCCN(c2nc(C(F)(F)F)c(C(=O)Cc3ccc(N4CCN(C(=O)Cc5ccccc5F)CC4)nc3)o2)C1.Cc1ccc(C2CCCN(c3nc(C(F)(F)F)c(C(=O)Cc4ccc(N5CCN(C(=O)Cc6ccccc6F)CC5)nc4)o3)C2)cc1.Cc1ccc(C2CCCN(c3nc(C(F)(F)F)c(C(=O)Cc4ccc(N5CCN(C(=O)Cc6ccccc6F)CC5)nc4)o3)C2)cc1
• InChI: InChI=1S/C35H35F4N5O4.2C35H35F4N5O3/c1-47-29-11-5-3-9-26(29)25-8-6-14-44(22-25)34-41-33(35(37,38)39)32(48-34)28(45)19-23-12-13-30(40-21-23)42-15-17-43(18-16-42)31(46)20-24-7-2-4-10-27(24)36;2*1-23-8-11-25(12-9-23)27-6-4-14-44(22-27)34-41-33(35(37,38)39)32(47-34)29(45)19-24-10-13-30(40-21-24)42-15-17-43(18-16-42)31(46)20-26-5-2-3-7-28(26)36/h2-5,7,9-13,21,25H,6,8,14-20,22H2,1H3;2*2-3,5,7-13,21,27H,4,6,14-20,22H2,1H3
• InChIKey: FXVPVPNTRMWPRB-UHFFFAOYSA-N
• XLogP: 18.41
• TPSA: 257.57 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 25
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1965.07
LogP ≤ 5	18.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(2-methoxyphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;bis(2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(4-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone)?

The IUPAC name of 2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(2-methoxyphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;bis(2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(4-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone) (CID 123395612) is 2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(2-methoxyphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;bis(2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(4-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone).

What is the SMILES notation for 2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(2-methoxyphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;bis(2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(4-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone)?

The canonical SMILES for 2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(2-methoxyphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;bis(2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(4-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone) is COc1ccccc1C1CCCN(c2nc(C(F)(F)F)c(C(=O)Cc3ccc(N4CCN(C(=O)Cc5ccccc5F)CC4)nc3)o2)C1.Cc1ccc(C2CCCN(c3nc(C(F)(F)F)c(C(=O)Cc4ccc(N5CCN(C(=O)Cc6ccccc6F)CC5)nc4)o3)C2)cc1.Cc1ccc(C2CCCN(c3nc(C(F)(F)F)c(C(=O)Cc4ccc(N5CCN(C(=O)Cc6ccccc6F)CC5)nc4)o3)C2)cc1.

What is the InChIKey of 2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(2-methoxyphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;bis(2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(4-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone)?

The InChIKey is FXVPVPNTRMWPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35F4N5O4.2C35H35F4N5O3/c1-47-29-11-5-3-9-26(29)25-8-6-14-44(22-25)34-41-33(35(37,38)39)32(48-34)28(45)19-23-12-13-30(40-21-23)42-15-17-43(18-16-42)31(46)20-24-7-2-4-10-27(24)36;2*1-23-8-11-25(12-9-23)27-6-4-14-44(22-27)34-41-33(35(37,38)39)32(47-34)29(45)19-24-10-13-30(40-21-24)42-15-17-43(18-16-42)31(46)20-26-5-2-3-7-28(26)36/h2-5,7,9-13,21,25H,6,8,14-20,22H2,1H3;2*2-3,5,7-13,21,27H,4,6,14-20,22H2,1H3.

What are the key properties of 2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(2-methoxyphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;bis(2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(4-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone)?

2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(2-methoxyphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;bis(2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(4-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone) has a molecular weight of 1965.07 g/mol, XLogP of 18.41, 25 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(2-methoxyphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;bis(2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(4-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone) is sourced from PubChem (CID 123395612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).