(3S,4S)-1-benzyl-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylpyrrolidine-3-carbaldehyde;(4R)-3-[(3S,4S)-1-benzyl-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylpyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one;(1R)-1-[(3S,4S)-1-benzyl-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylpyrrolidin-3-yl]ethanol;5-[(3S,4S)-4-[(1R)-1-hydroxyethyl]-4-methylpyrrolidin-3-yl]-2-methoxyphenol;4-methoxy-3-phenylmethoxybenzaldehyde;(E)-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylbut-3-en-2-one;3-[(E)-3-(4-methoxy-3-phenylmethoxyphenyl)-2-methylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one

C166H178N6O25 — CID 157123063

About (3S,4S)-1-benzyl-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylpyrrolidine-3-carbaldehyde;(4R)-3-[(3S,4S)-1-benzyl-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylpyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one;(1R)-1-[(3S,4S)-1-benzyl-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylpyrrolidin-3-yl]ethanol;5-[(3S,4S)-4-[(1R)-1-hydroxyethyl]-4-methylpyrrolidin-3-yl]-2-methoxyphenol;4-methoxy-3-phenylmethoxybenzaldehyde;(E)-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylbut-3-en-2-one;3-[(E)-3-(4-methoxy-3-phenylmethoxyphenyl)-2-methylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one

(3S,4S)-1-benzyl-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylpyrrolidine-3-carbaldehyde;(4R)-3-[(3S,4S)-1-benzyl-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylpyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one;(1R)-1-[(3S,4S)-1-benzyl-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylpyrrolidin-3-yl]ethanol;5-[(3S,4S)-4-[(1R)-1-hydroxyethyl]-4-methylpyrrolidin-3-yl]-2-methoxyphenol;4-methoxy-3-phenylmethoxybenzaldehyde;(E)-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylbut-3-en-2-one;3-[(E)-3-(4-methoxy-3-phenylmethoxyphenyl)-2-methylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 157123063) has the molecular formula C166H178N6O25 and a molecular weight of 2657.27 g/mol. Its IUPAC name is (3S,4S)-1-benzyl-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylpyrrolidine-3-carbaldehyde;(4R)-3-[(3S,4S)-1-benzyl-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylpyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one;(1R)-1-[(3S,4S)-1-benzyl-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylpyrrolidin-3-yl]ethanol;5-[(3S,4S)-4-[(1R)-1-hydroxyethyl]-4-methylpyrrolidin-3-yl]-2-methoxyphenol;4-methoxy-3-phenylmethoxybenzaldehyde;(E)-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylbut-3-en-2-one;3-[(E)-3-(4-methoxy-3-phenylmethoxyphenyl)-2-methylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (3S,4S)-1-benzyl-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylpyrrolidine-3-carbaldehyde;(4R)-3-[(3S,4S)-1-benzyl-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylpyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one;(1R)-1-[(3S,4S)-1-benzyl-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylpyrrolidin-3-yl]ethanol;5-[(3S,4S)-4-[(1R)-1-hydroxyethyl]-4-methylpyrrolidin-3-yl]-2-methoxyphenol;4-methoxy-3-phenylmethoxybenzaldehyde;(E)-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylbut-3-en-2-one;3-[(E)-3-(4-methoxy-3-phenylmethoxyphenyl)-2-methylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
• PubChem CID: 157123063
• Molecular Formula: C166H178N6O25
• Molecular Weight: 2657.27 g/mol
• Exact Mass: 2655.28
• IUPAC Name: (3S,4S)-1-benzyl-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylpyrrolidine-3-carbaldehyde;(4R)-3-[(3S,4S)-1-benzyl-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylpyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one;(1R)-1-[(3S,4S)-1-benzyl-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylpyrrolidin-3-yl]ethanol;5-[(3S,4S)-4-[(1R)-1-hydroxyethyl]-4-methylpyrrolidin-3-yl]-2-methoxyphenol;4-methoxy-3-phenylmethoxybenzaldehyde;(E)-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylbut-3-en-2-one;3-[(E)-3-(4-methoxy-3-phenylmethoxyphenyl)-2-methylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
• SMILES: COc1ccc(/C=C(\C)C(=O)N2C(=O)OCC2c2ccccc2)cc1OCc1ccccc1.COc1ccc(/C=C(\C)C(C)=O)cc1OCc1ccccc1.COc1ccc(C=O)cc1OCc1ccccc1.COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@@]2(C)C(=O)N2C(=O)OC[C@H]2c2ccccc2)cc1OCc1ccccc1.COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@@]2(C)C=O)cc1OCc1ccccc1.COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@@]2(C)[C@@H](C)O)cc1OCc1ccccc1.COc1ccc([C@@H]2CNC[C@@]2(C)[C@@H](C)O)cc1O
• InChI: InChI=1S/C36H36N2O5.C28H33NO3.C27H25NO5.C27H29NO3.C19H20O3.C15H14O3.C14H21NO3/c1-36(34(39)38-31(24-43-35(38)40)28-16-10-5-11-17-28)25-37(21-26-12-6-3-7-13-26)22-30(36)29-18-19-32(41-2)33(20-29)42-23-27-14-8-4-9-15-27;1-21(30)28(2)20-29(17-22-10-6-4-7-11-22)18-25(28)24-14-15-26(31-3)27(16-24)32-19-23-12-8-5-9-13-23;1-19(26(29)28-23(18-33-27(28)30)22-11-7-4-8-12-22)15-21-13-14-24(31-2)25(16-21)32-17-20-9-5-3-6-10-20;1-27(20-29)19-28(16-21-9-5-3-6-10-21)17-24(27)23-13-14-25(30-2)26(15-23)31-18-22-11-7-4-8-12-22;1-14(15(2)20)11-17-9-10-18(21-3)19(12-17)22-13-16-7-5-4-6-8-16;1-17-14-8-7-13(10-16)9-15(14)18-11-12-5-3-2-4-6-12;1-9(16)14(2)8-15-7-11(14)10-4-5-13(18-3)12(17)6-10/h3-20,30-31H,21-25H2,1-2H3;4-16,21,25,30H,17-20H2,1-3H3;3-16,23H,17-18H2,1-2H3;3-15,20,24H,16-19H2,1-2H3;4-12H,13H2,1-3H3;2-10H,11H2,1H3;4-6,9,11,15-17H,7-8H2,1-3H3/b;;19-15+;;14-11+;;/t30-,31-,36+;21-,25+,28+;;24-,27-;;;9-,11+,14+/m01.0..1/s1
• InChIKey: AIEVLJVVUFJZJG-JKONAIPTSA-N
• XLogP: 31.17
• TPSA: 346.86 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 29
• Rotatable Bonds: 46
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2657.27
LogP ≤ 5	31.17
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-benzyl-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylpyrrolidine-3-carbaldehyde;(4R)-3-[(3S,4S)-1-benzyl-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylpyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one;(1R)-1-[(3S,4S)-1-benzyl-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylpyrrolidin-3-yl]ethanol;5-[(3S,4S)-4-[(1R)-1-hydroxyethyl]-4-methylpyrrolidin-3-yl]-2-methoxyphenol;4-methoxy-3-phenylmethoxybenzaldehyde;(E)-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylbut-3-en-2-one;3-[(E)-3-(4-methoxy-3-phenylmethoxyphenyl)-2-methylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one?

The IUPAC name of (3S,4S)-1-benzyl-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylpyrrolidine-3-carbaldehyde;(4R)-3-[(3S,4S)-1-benzyl-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylpyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one;(1R)-1-[(3S,4S)-1-benzyl-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylpyrrolidin-3-yl]ethanol;5-[(3S,4S)-4-[(1R)-1-hydroxyethyl]-4-methylpyrrolidin-3-yl]-2-methoxyphenol;4-methoxy-3-phenylmethoxybenzaldehyde;(E)-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylbut-3-en-2-one;3-[(E)-3-(4-methoxy-3-phenylmethoxyphenyl)-2-methylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one (CID 157123063) is (3S,4S)-1-benzyl-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylpyrrolidine-3-carbaldehyde;(4R)-3-[(3S,4S)-1-benzyl-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylpyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one;(1R)-1-[(3S,4S)-1-benzyl-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylpyrrolidin-3-yl]ethanol;5-[(3S,4S)-4-[(1R)-1-hydroxyethyl]-4-methylpyrrolidin-3-yl]-2-methoxyphenol;4-methoxy-3-phenylmethoxybenzaldehyde;(E)-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylbut-3-en-2-one;3-[(E)-3-(4-methoxy-3-phenylmethoxyphenyl)-2-methylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one.

What is the SMILES notation for (3S,4S)-1-benzyl-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylpyrrolidine-3-carbaldehyde;(4R)-3-[(3S,4S)-1-benzyl-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylpyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one;(1R)-1-[(3S,4S)-1-benzyl-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylpyrrolidin-3-yl]ethanol;5-[(3S,4S)-4-[(1R)-1-hydroxyethyl]-4-methylpyrrolidin-3-yl]-2-methoxyphenol;4-methoxy-3-phenylmethoxybenzaldehyde;(E)-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylbut-3-en-2-one;3-[(E)-3-(4-methoxy-3-phenylmethoxyphenyl)-2-methylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one?

The canonical SMILES for (3S,4S)-1-benzyl-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylpyrrolidine-3-carbaldehyde;(4R)-3-[(3S,4S)-1-benzyl-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylpyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one;(1R)-1-[(3S,4S)-1-benzyl-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylpyrrolidin-3-yl]ethanol;5-[(3S,4S)-4-[(1R)-1-hydroxyethyl]-4-methylpyrrolidin-3-yl]-2-methoxyphenol;4-methoxy-3-phenylmethoxybenzaldehyde;(E)-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylbut-3-en-2-one;3-[(E)-3-(4-methoxy-3-phenylmethoxyphenyl)-2-methylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one is COc1ccc(/C=C(\C)C(=O)N2C(=O)OCC2c2ccccc2)cc1OCc1ccccc1.COc1ccc(/C=C(\C)C(C)=O)cc1OCc1ccccc1.COc1ccc(C=O)cc1OCc1ccccc1.COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@@]2(C)C(=O)N2C(=O)OC[C@H]2c2ccccc2)cc1OCc1ccccc1.COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@@]2(C)C=O)cc1OCc1ccccc1.COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@@]2(C)[C@@H](C)O)cc1OCc1ccccc1.COc1ccc([C@@H]2CNC[C@@]2(C)[C@@H](C)O)cc1O.

What is the InChIKey of (3S,4S)-1-benzyl-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylpyrrolidine-3-carbaldehyde;(4R)-3-[(3S,4S)-1-benzyl-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylpyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one;(1R)-1-[(3S,4S)-1-benzyl-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylpyrrolidin-3-yl]ethanol;5-[(3S,4S)-4-[(1R)-1-hydroxyethyl]-4-methylpyrrolidin-3-yl]-2-methoxyphenol;4-methoxy-3-phenylmethoxybenzaldehyde;(E)-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylbut-3-en-2-one;3-[(E)-3-(4-methoxy-3-phenylmethoxyphenyl)-2-methylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one?

The InChIKey is AIEVLJVVUFJZJG-JKONAIPTSA-N. The full InChI is InChI=1S/C36H36N2O5.C28H33NO3.C27H25NO5.C27H29NO3.C19H20O3.C15H14O3.C14H21NO3/c1-36(34(39)38-31(24-43-35(38)40)28-16-10-5-11-17-28)25-37(21-26-12-6-3-7-13-26)22-30(36)29-18-19-32(41-2)33(20-29)42-23-27-14-8-4-9-15-27;1-21(30)28(2)20-29(17-22-10-6-4-7-11-22)18-25(28)24-14-15-26(31-3)27(16-24)32-19-23-12-8-5-9-13-23;1-19(26(29)28-23(18-33-27(28)30)22-11-7-4-8-12-22)15-21-13-14-24(31-2)25(16-21)32-17-20-9-5-3-6-10-20;1-27(20-29)19-28(16-21-9-5-3-6-10-21)17-24(27)23-13-14-25(30-2)26(15-23)31-18-22-11-7-4-8-12-22;1-14(15(2)20)11-17-9-10-18(21-3)19(12-17)22-13-16-7-5-4-6-8-16;1-17-14-8-7-13(10-16)9-15(14)18-11-12-5-3-2-4-6-12;1-9(16)14(2)8-15-7-11(14)10-4-5-13(18-3)12(17)6-10/h3-20,30-31H,21-25H2,1-2H3;4-16,21,25,30H,17-20H2,1-3H3;3-16,23H,17-18H2,1-2H3;3-15,20,24H,16-19H2,1-2H3;4-12H,13H2,1-3H3;2-10H,11H2,1H3;4-6,9,11,15-17H,7-8H2,1-3H3/b;;19-15+;;14-11+;;/t30-,31-,36+;21-,25+,28+;;24-,27-;;;9-,11+,14+/m01.0..1/s1.

What are the key properties of (3S,4S)-1-benzyl-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylpyrrolidine-3-carbaldehyde;(4R)-3-[(3S,4S)-1-benzyl-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylpyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one;(1R)-1-[(3S,4S)-1-benzyl-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylpyrrolidin-3-yl]ethanol;5-[(3S,4S)-4-[(1R)-1-hydroxyethyl]-4-methylpyrrolidin-3-yl]-2-methoxyphenol;4-methoxy-3-phenylmethoxybenzaldehyde;(E)-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylbut-3-en-2-one;3-[(E)-3-(4-methoxy-3-phenylmethoxyphenyl)-2-methylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one?

(3S,4S)-1-benzyl-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylpyrrolidine-3-carbaldehyde;(4R)-3-[(3S,4S)-1-benzyl-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylpyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one;(1R)-1-[(3S,4S)-1-benzyl-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylpyrrolidin-3-yl]ethanol;5-[(3S,4S)-4-[(1R)-1-hydroxyethyl]-4-methylpyrrolidin-3-yl]-2-methoxyphenol;4-methoxy-3-phenylmethoxybenzaldehyde;(E)-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylbut-3-en-2-one;3-[(E)-3-(4-methoxy-3-phenylmethoxyphenyl)-2-methylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 2657.27 g/mol, XLogP of 31.17, 46 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,4S)-1-benzyl-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylpyrrolidine-3-carbaldehyde;(4R)-3-[(3S,4S)-1-benzyl-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylpyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one;(1R)-1-[(3S,4S)-1-benzyl-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylpyrrolidin-3-yl]ethanol;5-[(3S,4S)-4-[(1R)-1-hydroxyethyl]-4-methylpyrrolidin-3-yl]-2-methoxyphenol;4-methoxy-3-phenylmethoxybenzaldehyde;(E)-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylbut-3-en-2-one;3-[(E)-3-(4-methoxy-3-phenylmethoxyphenyl)-2-methylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 157123063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).