(3,5-dimethylpiperidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone;ethyl 1-[5-(4-methylphenyl)-1,2-oxazole-4-carbonyl]piperidine-3-carboxylate;(5-ethyl-2-methylpiperidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone;[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone;(3-methyl-5-phenyl-1,2-oxazol-4-yl)-(3-phenylpyrrolidin-1-yl)methanone;(3-methyl-5-phenyl-1,2-oxazol-4-yl)-[2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone;(3-pyridin-4-ylpyrrolidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone

C₁₃₅H₁₃₆F₁₂N₁₆O₁₇ — CID 159412169

About (3,5-dimethylpiperidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone;ethyl 1-[5-(4-methylphenyl)-1,2-oxazole-4-carbonyl]piperidine-3-carboxylate;(5-ethyl-2-methylpiperidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone;[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone;(3-methyl-5-phenyl-1,2-oxazol-4-yl)-(3-phenylpyrrolidin-1-yl)methanone;(3-methyl-5-phenyl-1,2-oxazol-4-yl)-[2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone;(3-pyridin-4-ylpyrrolidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone

(3,5-dimethylpiperidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone;ethyl 1-[5-(4-methylphenyl)-1,2-oxazole-4-carbonyl]piperidine-3-carboxylate;(5-ethyl-2-methylpiperidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone;[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone;(3-methyl-5-phenyl-1,2-oxazol-4-yl)-(3-phenylpyrrolidin-1-yl)methanone;(3-methyl-5-phenyl-1,2-oxazol-4-yl)-[2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone;(3-pyridin-4-ylpyrrolidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone (PubChem CID 159412169) has the molecular formula C₁₃₅H₁₃₆F₁₂N₁₆O₁₇ and a molecular weight of 2482.64 g/mol. Its IUPAC name is (3,5-dimethylpiperidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone;ethyl 1-[5-(4-methylphenyl)-1,2-oxazole-4-carbonyl]piperidine-3-carboxylate;(5-ethyl-2-methylpiperidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone;[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone;(3-methyl-5-phenyl-1,2-oxazol-4-yl)-(3-phenylpyrrolidin-1-yl)methanone;(3-methyl-5-phenyl-1,2-oxazol-4-yl)-[2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone;(3-pyridin-4-ylpyrrolidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone.

Molecular Properties

• Compound Name: (3,5-dimethylpiperidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone;ethyl 1-[5-(4-methylphenyl)-1,2-oxazole-4-carbonyl]piperidine-3-carboxylate;(5-ethyl-2-methylpiperidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone;[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone;(3-methyl-5-phenyl-1,2-oxazol-4-yl)-(3-phenylpyrrolidin-1-yl)methanone;(3-methyl-5-phenyl-1,2-oxazol-4-yl)-[2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone;(3-pyridin-4-ylpyrrolidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone
• PubChem CID: 159412169
• Molecular Formula: C₁₃₅H₁₃₆F₁₂N₁₆O₁₇
• Molecular Weight: 2482.64 g/mol
• Exact Mass: 2481.01
• IUPAC Name: (3,5-dimethylpiperidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone;ethyl 1-[5-(4-methylphenyl)-1,2-oxazole-4-carbonyl]piperidine-3-carboxylate;(5-ethyl-2-methylpiperidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone;[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone;(3-methyl-5-phenyl-1,2-oxazol-4-yl)-(3-phenylpyrrolidin-1-yl)methanone;(3-methyl-5-phenyl-1,2-oxazol-4-yl)-[2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone;(3-pyridin-4-ylpyrrolidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone
• SMILES: CC1CC(C)CN(C(=O)c2cnoc2-c2ccc(C(F)(F)F)cc2)C1.CCC1CCC(C)N(C(=O)c2cnoc2-c2ccc(C(F)(F)F)cc2)C1.CCOC(=O)C1CCCN(C(=O)c2cnoc2-c2ccc(C)cc2)C1.COC[C@@H]1CCCN1C(=O)c1cnoc1-c1ccc(C(F)(F)F)cc1.Cc1noc(-c2ccccc2)c1C(=O)N1CCC(c2ccccc2)C1.Cc1noc(-c2ccccc2)c1C(=O)N1CCCC1Cc1cccnc1.O=C(c1cnoc1-c1ccc(C(F)(F)F)cc1)N1CCC(c2ccncc2)C1
• InChI: InChI=1S/C21H21N3O2.C21H20N2O2.C20H16F3N3O2.C19H21F3N2O2.C19H22N2O4.C18H19F3N2O2.C17H17F3N2O3/c1-15-19(20(26-23-15)17-8-3-2-4-9-17)21(25)24-12-6-10-18(24)13-16-7-5-11-22-14-16;1-15-19(20(25-22-15)17-10-6-3-7-11-17)21(24)23-13-12-18(14-23)16-8-4-2-5-9-16;21-20(22,23)16-3-1-14(2-4-16)18-17(11-25-28-18)19(27)26-10-7-15(12-26)13-5-8-24-9-6-13;1-3-13-5-4-12(2)24(11-13)18(25)16-10-23-26-17(16)14-6-8-15(9-7-14)19(20,21)22;1-3-24-19(23)15-5-4-10-21(12-15)18(22)16-11-20-25-17(16)14-8-6-13(2)7-9-14;1-11-7-12(2)10-23(9-11)17(24)15-8-22-25-16(15)13-3-5-14(6-4-13)18(19,20)21;1-24-10-13-3-2-8-22(13)16(23)14-9-21-25-15(14)11-4-6-12(7-5-11)17(18,19)20/h2-5,7-9,11,14,18H,6,10,12-13H2,1H3;2-11,18H,12-14H2,1H3;1-6,8-9,11,15H,7,10,12H2;6-10,12-13H,3-5,11H2,1-2H3;6-9,11,15H,3-5,10,12H2,1-2H3;3-6,8,11-12H,7,9-10H2,1-2H3;4-7,9,13H,2-3,8,10H2,1H3/t;;;;;;13-/m......0/s1
• InChIKey: LOSARKNCIPTBQL-RPZIFWDJSA-N
• XLogP: 28.72
• TPSA: 385.69 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 23
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2482.64
LogP ≤ 5	28.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone;ethyl 1-[5-(4-methylphenyl)-1,2-oxazole-4-carbonyl]piperidine-3-carboxylate;(5-ethyl-2-methylpiperidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone;[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone;(3-methyl-5-phenyl-1,2-oxazol-4-yl)-(3-phenylpyrrolidin-1-yl)methanone;(3-methyl-5-phenyl-1,2-oxazol-4-yl)-[2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone;(3-pyridin-4-ylpyrrolidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone?

The IUPAC name of (3,5-dimethylpiperidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone;ethyl 1-[5-(4-methylphenyl)-1,2-oxazole-4-carbonyl]piperidine-3-carboxylate;(5-ethyl-2-methylpiperidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone;[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone;(3-methyl-5-phenyl-1,2-oxazol-4-yl)-(3-phenylpyrrolidin-1-yl)methanone;(3-methyl-5-phenyl-1,2-oxazol-4-yl)-[2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone;(3-pyridin-4-ylpyrrolidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone (CID 159412169) is (3,5-dimethylpiperidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone;ethyl 1-[5-(4-methylphenyl)-1,2-oxazole-4-carbonyl]piperidine-3-carboxylate;(5-ethyl-2-methylpiperidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone;[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone;(3-methyl-5-phenyl-1,2-oxazol-4-yl)-(3-phenylpyrrolidin-1-yl)methanone;(3-methyl-5-phenyl-1,2-oxazol-4-yl)-[2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone;(3-pyridin-4-ylpyrrolidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone.

What is the SMILES notation for (3,5-dimethylpiperidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone;ethyl 1-[5-(4-methylphenyl)-1,2-oxazole-4-carbonyl]piperidine-3-carboxylate;(5-ethyl-2-methylpiperidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone;[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone;(3-methyl-5-phenyl-1,2-oxazol-4-yl)-(3-phenylpyrrolidin-1-yl)methanone;(3-methyl-5-phenyl-1,2-oxazol-4-yl)-[2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone;(3-pyridin-4-ylpyrrolidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone?

The canonical SMILES for (3,5-dimethylpiperidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone;ethyl 1-[5-(4-methylphenyl)-1,2-oxazole-4-carbonyl]piperidine-3-carboxylate;(5-ethyl-2-methylpiperidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone;[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone;(3-methyl-5-phenyl-1,2-oxazol-4-yl)-(3-phenylpyrrolidin-1-yl)methanone;(3-methyl-5-phenyl-1,2-oxazol-4-yl)-[2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone;(3-pyridin-4-ylpyrrolidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone is CC1CC(C)CN(C(=O)c2cnoc2-c2ccc(C(F)(F)F)cc2)C1.CCC1CCC(C)N(C(=O)c2cnoc2-c2ccc(C(F)(F)F)cc2)C1.CCOC(=O)C1CCCN(C(=O)c2cnoc2-c2ccc(C)cc2)C1.COC[C@@H]1CCCN1C(=O)c1cnoc1-c1ccc(C(F)(F)F)cc1.Cc1noc(-c2ccccc2)c1C(=O)N1CCC(c2ccccc2)C1.Cc1noc(-c2ccccc2)c1C(=O)N1CCCC1Cc1cccnc1.O=C(c1cnoc1-c1ccc(C(F)(F)F)cc1)N1CCC(c2ccncc2)C1.

What is the InChIKey of (3,5-dimethylpiperidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone;ethyl 1-[5-(4-methylphenyl)-1,2-oxazole-4-carbonyl]piperidine-3-carboxylate;(5-ethyl-2-methylpiperidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone;[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone;(3-methyl-5-phenyl-1,2-oxazol-4-yl)-(3-phenylpyrrolidin-1-yl)methanone;(3-methyl-5-phenyl-1,2-oxazol-4-yl)-[2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone;(3-pyridin-4-ylpyrrolidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone?

The InChIKey is LOSARKNCIPTBQL-RPZIFWDJSA-N. The full InChI is InChI=1S/C21H21N3O2.C21H20N2O2.C20H16F3N3O2.C19H21F3N2O2.C19H22N2O4.C18H19F3N2O2.C17H17F3N2O3/c1-15-19(20(26-23-15)17-8-3-2-4-9-17)21(25)24-12-6-10-18(24)13-16-7-5-11-22-14-16;1-15-19(20(25-22-15)17-10-6-3-7-11-17)21(24)23-13-12-18(14-23)16-8-4-2-5-9-16;21-20(22,23)16-3-1-14(2-4-16)18-17(11-25-28-18)19(27)26-10-7-15(12-26)13-5-8-24-9-6-13;1-3-13-5-4-12(2)24(11-13)18(25)16-10-23-26-17(16)14-6-8-15(9-7-14)19(20,21)22;1-3-24-19(23)15-5-4-10-21(12-15)18(22)16-11-20-25-17(16)14-8-6-13(2)7-9-14;1-11-7-12(2)10-23(9-11)17(24)15-8-22-25-16(15)13-3-5-14(6-4-13)18(19,20)21;1-24-10-13-3-2-8-22(13)16(23)14-9-21-25-15(14)11-4-6-12(7-5-11)17(18,19)20/h2-5,7-9,11,14,18H,6,10,12-13H2,1H3;2-11,18H,12-14H2,1H3;1-6,8-9,11,15H,7,10,12H2;6-10,12-13H,3-5,11H2,1-2H3;6-9,11,15H,3-5,10,12H2,1-2H3;3-6,8,11-12H,7,9-10H2,1-2H3;4-7,9,13H,2-3,8,10H2,1H3/t;;;;;;13-/m......0/s1.

What are the key properties of (3,5-dimethylpiperidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone;ethyl 1-[5-(4-methylphenyl)-1,2-oxazole-4-carbonyl]piperidine-3-carboxylate;(5-ethyl-2-methylpiperidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone;[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone;(3-methyl-5-phenyl-1,2-oxazol-4-yl)-(3-phenylpyrrolidin-1-yl)methanone;(3-methyl-5-phenyl-1,2-oxazol-4-yl)-[2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone;(3-pyridin-4-ylpyrrolidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone?

(3,5-dimethylpiperidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone;ethyl 1-[5-(4-methylphenyl)-1,2-oxazole-4-carbonyl]piperidine-3-carboxylate;(5-ethyl-2-methylpiperidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone;[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone;(3-methyl-5-phenyl-1,2-oxazol-4-yl)-(3-phenylpyrrolidin-1-yl)methanone;(3-methyl-5-phenyl-1,2-oxazol-4-yl)-[2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone;(3-pyridin-4-ylpyrrolidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone has a molecular weight of 2482.64 g/mol, XLogP of 28.72, 23 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for (3,5-dimethylpiperidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone;ethyl 1-[5-(4-methylphenyl)-1,2-oxazole-4-carbonyl]piperidine-3-carboxylate;(5-ethyl-2-methylpiperidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone;[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone;(3-methyl-5-phenyl-1,2-oxazol-4-yl)-(3-phenylpyrrolidin-1-yl)methanone;(3-methyl-5-phenyl-1,2-oxazol-4-yl)-[2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone;(3-pyridin-4-ylpyrrolidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone is sourced from PubChem (CID 159412169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159412169 — identifiers, structure, computed properties (public domain)

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