N-benzyl-1-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperidine-4-sulfonamide;1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-(2-phenylethyl)piperidin-1-yl]-3-pyridinyl]ethanone;1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-(4-phenylmethoxypiperidin-1-yl)-3-pyridinyl]ethanone;2-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-(3-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone

C147H162F15N21O13S — CID 160824586

About N-benzyl-1-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperidine-4-sulfonamide;1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-(2-phenylethyl)piperidin-1-yl]-3-pyridinyl]ethanone;1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-(4-phenylmethoxypiperidin-1-yl)-3-pyridinyl]ethanone;2-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-(3-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone

N-benzyl-1-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperidine-4-sulfonamide;1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-(2-phenylethyl)piperidin-1-yl]-3-pyridinyl]ethanone;1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-(4-phenylmethoxypiperidin-1-yl)-3-pyridinyl]ethanone;2-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-(3-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone (PubChem CID 160824586) has the molecular formula C147H162F15N21O13S and a molecular weight of 2748.08 g/mol. Its IUPAC name is N-benzyl-1-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperidine-4-sulfonamide;1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-(2-phenylethyl)piperidin-1-yl]-3-pyridinyl]ethanone;1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-(4-phenylmethoxypiperidin-1-yl)-3-pyridinyl]ethanone;2-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-(3-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone.

Molecular Properties

• Compound Name: N-benzyl-1-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperidine-4-sulfonamide;1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-(2-phenylethyl)piperidin-1-yl]-3-pyridinyl]ethanone;1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-(4-phenylmethoxypiperidin-1-yl)-3-pyridinyl]ethanone;2-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-(3-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
• PubChem CID: 160824586
• Molecular Formula: C147H162F15N21O13S
• Molecular Weight: 2748.08 g/mol
• Exact Mass: 2746.21
• IUPAC Name: N-benzyl-1-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperidine-4-sulfonamide;1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-(2-phenylethyl)piperidin-1-yl]-3-pyridinyl]ethanone;1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-(4-phenylmethoxypiperidin-1-yl)-3-pyridinyl]ethanone;2-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-(3-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
• SMILES: CC1CCCN(c2nc(C(F)(F)F)c(C(=O)Cc3ccc(N4CCC(CCc5ccccc5)CC4)nc3)o2)C1.CC1CCCN(c2nc(C(F)(F)F)c(C(=O)Cc3ccc(N4CCC(OCc5ccccc5)CC4)nc3)o2)C1.CC1CCCN(c2nc(C(F)(F)F)c(C(=O)Cc3ccc(N4CCC(S(=O)(=O)NCc5ccccc5)CC4)nc3)o2)C1.O=C(Cc1ccc(N2CCC(c3ccccc3)CC2)nc1)c1oc(N2CCCC(c3ccccc3)C2)nc1C(F)(F)F.O=C(Cc1ccc(N2CCC(c3ccccc3)CC2)nc1)c1oc(N2CCCC2)nc1C(F)(F)F
• InChI: InChI=1S/C33H33F3N4O2.C30H35F3N4O2.C29H34F3N5O4S.C29H33F3N4O3.C26H27F3N4O2/c34-33(35,36)31-30(42-32(38-31)40-17-7-12-27(22-40)25-10-5-2-6-11-25)28(41)20-23-13-14-29(37-21-23)39-18-15-26(16-19-39)24-8-3-1-4-9-24;1-21-6-5-15-37(20-21)29-35-28(30(31,32)33)27(39-29)25(38)18-24-11-12-26(34-19-24)36-16-13-23(14-17-36)10-9-22-7-3-2-4-8-22;1-20-6-5-13-37(19-20)28-35-27(29(30,31)32)26(41-28)24(38)16-22-9-10-25(33-17-22)36-14-11-23(12-15-36)42(39,40)34-18-21-7-3-2-4-8-21;1-20-6-5-13-36(18-20)28-34-27(29(30,31)32)26(39-28)24(37)16-22-9-10-25(33-17-22)35-14-11-23(12-15-35)38-19-21-7-3-2-4-8-21;27-26(28,29)24-23(35-25(31-24)33-12-4-5-13-33)21(34)16-18-8-9-22(30-17-18)32-14-10-20(11-15-32)19-6-2-1-3-7-19/h1-6,8-11,13-14,21,26-27H,7,12,15-20,22H2;2-4,7-8,11-12,19,21,23H,5-6,9-10,13-18,20H2,1H3;2-4,7-10,17,20,23,34H,5-6,11-16,18-19H2,1H3;2-4,7-10,17,20,23H,5-6,11-16,18-19H2,1H3;1-3,6-9,17,20H,4-5,10-16H2
• InChIKey: SFZKPBHSNDPZSW-UHFFFAOYSA-N
• XLogP: 30.15
• TPSA: 367.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 33
• Rotatable Bonds: 38
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2748.08
LogP ≤ 5	30.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperidine-4-sulfonamide;1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-(2-phenylethyl)piperidin-1-yl]-3-pyridinyl]ethanone;1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-(4-phenylmethoxypiperidin-1-yl)-3-pyridinyl]ethanone;2-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-(3-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone?

The IUPAC name of N-benzyl-1-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperidine-4-sulfonamide;1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-(2-phenylethyl)piperidin-1-yl]-3-pyridinyl]ethanone;1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-(4-phenylmethoxypiperidin-1-yl)-3-pyridinyl]ethanone;2-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-(3-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone (CID 160824586) is N-benzyl-1-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperidine-4-sulfonamide;1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-(2-phenylethyl)piperidin-1-yl]-3-pyridinyl]ethanone;1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-(4-phenylmethoxypiperidin-1-yl)-3-pyridinyl]ethanone;2-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-(3-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone.

What is the SMILES notation for N-benzyl-1-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperidine-4-sulfonamide;1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-(2-phenylethyl)piperidin-1-yl]-3-pyridinyl]ethanone;1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-(4-phenylmethoxypiperidin-1-yl)-3-pyridinyl]ethanone;2-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-(3-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone?

The canonical SMILES for N-benzyl-1-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperidine-4-sulfonamide;1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-(2-phenylethyl)piperidin-1-yl]-3-pyridinyl]ethanone;1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-(4-phenylmethoxypiperidin-1-yl)-3-pyridinyl]ethanone;2-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-(3-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone is CC1CCCN(c2nc(C(F)(F)F)c(C(=O)Cc3ccc(N4CCC(CCc5ccccc5)CC4)nc3)o2)C1.CC1CCCN(c2nc(C(F)(F)F)c(C(=O)Cc3ccc(N4CCC(OCc5ccccc5)CC4)nc3)o2)C1.CC1CCCN(c2nc(C(F)(F)F)c(C(=O)Cc3ccc(N4CCC(S(=O)(=O)NCc5ccccc5)CC4)nc3)o2)C1.O=C(Cc1ccc(N2CCC(c3ccccc3)CC2)nc1)c1oc(N2CCCC(c3ccccc3)C2)nc1C(F)(F)F.O=C(Cc1ccc(N2CCC(c3ccccc3)CC2)nc1)c1oc(N2CCCC2)nc1C(F)(F)F.

What is the InChIKey of N-benzyl-1-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperidine-4-sulfonamide;1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-(2-phenylethyl)piperidin-1-yl]-3-pyridinyl]ethanone;1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-(4-phenylmethoxypiperidin-1-yl)-3-pyridinyl]ethanone;2-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-(3-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone?

The InChIKey is SFZKPBHSNDPZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33F3N4O2.C30H35F3N4O2.C29H34F3N5O4S.C29H33F3N4O3.C26H27F3N4O2/c34-33(35,36)31-30(42-32(38-31)40-17-7-12-27(22-40)25-10-5-2-6-11-25)28(41)20-23-13-14-29(37-21-23)39-18-15-26(16-19-39)24-8-3-1-4-9-24;1-21-6-5-15-37(20-21)29-35-28(30(31,32)33)27(39-29)25(38)18-24-11-12-26(34-19-24)36-16-13-23(14-17-36)10-9-22-7-3-2-4-8-22;1-20-6-5-13-37(19-20)28-35-27(29(30,31)32)26(41-28)24(38)16-22-9-10-25(33-17-22)36-14-11-23(12-15-36)42(39,40)34-18-21-7-3-2-4-8-21;1-20-6-5-13-36(18-20)28-34-27(29(30,31)32)26(39-28)24(37)16-22-9-10-25(33-17-22)35-14-11-23(12-15-35)38-19-21-7-3-2-4-8-21;27-26(28,29)24-23(35-25(31-24)33-12-4-5-13-33)21(34)16-18-8-9-22(30-17-18)32-14-10-20(11-15-32)19-6-2-1-3-7-19/h1-6,8-11,13-14,21,26-27H,7,12,15-20,22H2;2-4,7-8,11-12,19,21,23H,5-6,9-10,13-18,20H2,1H3;2-4,7-10,17,20,23,34H,5-6,11-16,18-19H2,1H3;2-4,7-10,17,20,23H,5-6,11-16,18-19H2,1H3;1-3,6-9,17,20H,4-5,10-16H2.

What are the key properties of N-benzyl-1-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperidine-4-sulfonamide;1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-(2-phenylethyl)piperidin-1-yl]-3-pyridinyl]ethanone;1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-(4-phenylmethoxypiperidin-1-yl)-3-pyridinyl]ethanone;2-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-(3-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone?

N-benzyl-1-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperidine-4-sulfonamide;1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-(2-phenylethyl)piperidin-1-yl]-3-pyridinyl]ethanone;1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-(4-phenylmethoxypiperidin-1-yl)-3-pyridinyl]ethanone;2-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-(3-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone has a molecular weight of 2748.08 g/mol, XLogP of 30.15, 38 rotatable bonds, 1 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-1-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperidine-4-sulfonamide;1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-(2-phenylethyl)piperidin-1-yl]-3-pyridinyl]ethanone;1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-(4-phenylmethoxypiperidin-1-yl)-3-pyridinyl]ethanone;2-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-(3-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone is sourced from PubChem (CID 160824586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).