(2R)-1-[(2S,4R)-4-hydroxy-2-[5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;2,2,2-trifluoro-1-phenylethanimine

C54H58F9N7O8 — CID 160962062

About (2R)-1-[(2S,4R)-4-hydroxy-2-[5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;2,2,2-trifluoro-1-phenylethanimine

(2R)-1-[(2S,4R)-4-hydroxy-2-[5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;2,2,2-trifluoro-1-phenylethanimine (PubChem CID 160962062) has the molecular formula C54H58F9N7O8 and a molecular weight of 1104.08 g/mol. Its IUPAC name is (2R)-1-[(2S,4R)-4-hydroxy-2-[5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;2,2,2-trifluoro-1-phenylethanimine.

Molecular Properties

• Compound Name: (2R)-1-[(2S,4R)-4-hydroxy-2-[5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;2,2,2-trifluoro-1-phenylethanimine
• PubChem CID: 160962062
• Molecular Formula: C54H58F9N7O8
• Molecular Weight: 1104.08 g/mol
• Exact Mass: 1103.42
• IUPAC Name: (2R)-1-[(2S,4R)-4-hydroxy-2-[5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;2,2,2-trifluoro-1-phenylethanimine
• SMILES: Cc1cc([C@@H](C(=O)N2C[C@H](O)C[C@H]2C2=NOC(c3ccccc3)(C(F)(F)F)C2)C(C)C)on1.Cc1cc([C@H](C(=O)N2C[C@H](O)C[C@H]2C2=NOC(c3ccccc3)(C(F)(F)F)C2)C(C)C)on1.[H]/N=C(\c1ccccc1)C(F)(F)F
• InChI: InChI=1S/2C23H26F3N3O4.C8H6F3N/c2*1-13(2)20(19-9-14(3)27-32-19)21(31)29-12-16(30)10-18(29)17-11-22(33-28-17,23(24,25)26)15-7-5-4-6-8-15;9-8(10,11)7(12)6-4-2-1-3-5-6/h2*4-9,13,16,18,20,30H,10-12H2,1-3H3;1-5,12H/b;;12-7+/t16-,18+,20+,22?;16-,18+,20-,22?;/m11./s1
• InChIKey: SXDCEYZXQYZPGY-SGIPXKOUSA-N
• XLogP: 10.45
• TPSA: 200.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1104.08
LogP ≤ 5	10.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2S,4R)-4-hydroxy-2-[5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;2,2,2-trifluoro-1-phenylethanimine?

The IUPAC name of (2R)-1-[(2S,4R)-4-hydroxy-2-[5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;2,2,2-trifluoro-1-phenylethanimine (CID 160962062) is (2R)-1-[(2S,4R)-4-hydroxy-2-[5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;2,2,2-trifluoro-1-phenylethanimine.

What is the SMILES notation for (2R)-1-[(2S,4R)-4-hydroxy-2-[5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;2,2,2-trifluoro-1-phenylethanimine?

The canonical SMILES for (2R)-1-[(2S,4R)-4-hydroxy-2-[5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;2,2,2-trifluoro-1-phenylethanimine is Cc1cc([C@@H](C(=O)N2C[C@H](O)C[C@H]2C2=NOC(c3ccccc3)(C(F)(F)F)C2)C(C)C)on1.Cc1cc([C@H](C(=O)N2C[C@H](O)C[C@H]2C2=NOC(c3ccccc3)(C(F)(F)F)C2)C(C)C)on1.[H]/N=C(\c1ccccc1)C(F)(F)F.

What is the InChIKey of (2R)-1-[(2S,4R)-4-hydroxy-2-[5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;2,2,2-trifluoro-1-phenylethanimine?

The InChIKey is SXDCEYZXQYZPGY-SGIPXKOUSA-N. The full InChI is InChI=1S/2C23H26F3N3O4.C8H6F3N/c2*1-13(2)20(19-9-14(3)27-32-19)21(31)29-12-16(30)10-18(29)17-11-22(33-28-17,23(24,25)26)15-7-5-4-6-8-15;9-8(10,11)7(12)6-4-2-1-3-5-6/h2*4-9,13,16,18,20,30H,10-12H2,1-3H3;1-5,12H/b;;12-7+/t16-,18+,20+,22?;16-,18+,20-,22?;/m11./s1.

What are the key properties of (2R)-1-[(2S,4R)-4-hydroxy-2-[5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;2,2,2-trifluoro-1-phenylethanimine?

(2R)-1-[(2S,4R)-4-hydroxy-2-[5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;2,2,2-trifluoro-1-phenylethanimine has a molecular weight of 1104.08 g/mol, XLogP of 10.45, 11 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[(2S,4R)-4-hydroxy-2-[5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;2,2,2-trifluoro-1-phenylethanimine is sourced from PubChem (CID 160962062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).