(4R)-4-benzyl-3-[(3R,4R)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(3S,4S)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;tert-butyl (3R,4R)-3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-1-carboxylate;(3R,4R)-3-fluoro-4-(4-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid

C102H111F4N7O19 — CID 161311823

About (4R)-4-benzyl-3-[(3R,4R)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(3S,4S)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;tert-butyl (3R,4R)-3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-1-carboxylate;(3R,4R)-3-fluoro-4-(4-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid

(4R)-4-benzyl-3-[(3R,4R)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(3S,4S)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;tert-butyl (3R,4R)-3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-1-carboxylate;(3R,4R)-3-fluoro-4-(4-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid (PubChem CID 161311823) has the molecular formula C102H111F4N7O19 and a molecular weight of 1815.03 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(3R,4R)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(3S,4S)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;tert-butyl (3R,4R)-3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-1-carboxylate;(3R,4R)-3-fluoro-4-(4-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

• Compound Name: (4R)-4-benzyl-3-[(3R,4R)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(3S,4S)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;tert-butyl (3R,4R)-3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-1-carboxylate;(3R,4R)-3-fluoro-4-(4-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
• PubChem CID: 161311823
• Molecular Formula: C102H111F4N7O19
• Molecular Weight: 1815.03 g/mol
• Exact Mass: 1813.79
• IUPAC Name: (4R)-4-benzyl-3-[(3R,4R)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(3S,4S)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;tert-butyl (3R,4R)-3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-1-carboxylate;(3R,4R)-3-fluoro-4-(4-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
• SMILES: COc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(F)C(=O)N2C(=O)OC[C@H]2Cc2ccccc2)cc1.COc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(F)C(=O)O)cc1.COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@@]2(F)C(=O)N2C(=O)OC[C@H]2Cc2ccccc2)cc1.COc1ccc([C@H]2CN(Cc3ccccc3)C[C@]2(F)C(=O)N2C(=O)OC[C@H]2Cc2ccccc2)cc1
• InChI: InChI=1S/2C29H29FN2O4.C27H31FN2O6.C17H22FNO5/c2*1-35-25-14-12-23(13-15-25)26-18-31(17-22-10-6-3-7-11-22)20-29(26,30)27(33)32-24(19-36-28(32)34)16-21-8-4-2-5-9-21;1-26(2,3)36-24(32)29-15-22(19-10-12-21(34-4)13-11-19)27(28,17-29)23(31)30-20(16-35-25(30)33)14-18-8-6-5-7-9-18;1-16(2,3)24-15(22)19-9-13(17(18,10-19)14(20)21)11-5-7-12(23-4)8-6-11/h2*2-15,24,26H,16-20H2,1H3;5-13,20,22H,14-17H2,1-4H3;5-8,13H,9-10H2,1-4H3,(H,20,21)/t24-,26+,29+;24-,26-,29-;20-,22+,27+;13-,17-/m1110/s1
• InChIKey: VIZKMMWHPAADHE-GCNIGFPASA-N
• XLogP: 16.34
• TPSA: 279.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 20
• Rotatable Bonds: 22
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1815.03
LogP ≤ 5	16.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[(3R,4R)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(3S,4S)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;tert-butyl (3R,4R)-3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-1-carboxylate;(3R,4R)-3-fluoro-4-(4-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid?

The IUPAC name of (4R)-4-benzyl-3-[(3R,4R)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(3S,4S)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;tert-butyl (3R,4R)-3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-1-carboxylate;(3R,4R)-3-fluoro-4-(4-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid (CID 161311823) is (4R)-4-benzyl-3-[(3R,4R)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(3S,4S)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;tert-butyl (3R,4R)-3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-1-carboxylate;(3R,4R)-3-fluoro-4-(4-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid.

What is the SMILES notation for (4R)-4-benzyl-3-[(3R,4R)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(3S,4S)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;tert-butyl (3R,4R)-3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-1-carboxylate;(3R,4R)-3-fluoro-4-(4-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid?

The canonical SMILES for (4R)-4-benzyl-3-[(3R,4R)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(3S,4S)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;tert-butyl (3R,4R)-3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-1-carboxylate;(3R,4R)-3-fluoro-4-(4-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid is COc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(F)C(=O)N2C(=O)OC[C@H]2Cc2ccccc2)cc1.COc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(F)C(=O)O)cc1.COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@@]2(F)C(=O)N2C(=O)OC[C@H]2Cc2ccccc2)cc1.COc1ccc([C@H]2CN(Cc3ccccc3)C[C@]2(F)C(=O)N2C(=O)OC[C@H]2Cc2ccccc2)cc1.

What is the InChIKey of (4R)-4-benzyl-3-[(3R,4R)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(3S,4S)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;tert-butyl (3R,4R)-3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-1-carboxylate;(3R,4R)-3-fluoro-4-(4-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid?

The InChIKey is VIZKMMWHPAADHE-GCNIGFPASA-N. The full InChI is InChI=1S/2C29H29FN2O4.C27H31FN2O6.C17H22FNO5/c2*1-35-25-14-12-23(13-15-25)26-18-31(17-22-10-6-3-7-11-22)20-29(26,30)27(33)32-24(19-36-28(32)34)16-21-8-4-2-5-9-21;1-26(2,3)36-24(32)29-15-22(19-10-12-21(34-4)13-11-19)27(28,17-29)23(31)30-20(16-35-25(30)33)14-18-8-6-5-7-9-18;1-16(2,3)24-15(22)19-9-13(17(18,10-19)14(20)21)11-5-7-12(23-4)8-6-11/h2*2-15,24,26H,16-20H2,1H3;5-13,20,22H,14-17H2,1-4H3;5-8,13H,9-10H2,1-4H3,(H,20,21)/t24-,26+,29+;24-,26-,29-;20-,22+,27+;13-,17-/m1110/s1.

What are the key properties of (4R)-4-benzyl-3-[(3R,4R)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(3S,4S)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;tert-butyl (3R,4R)-3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-1-carboxylate;(3R,4R)-3-fluoro-4-(4-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid?

(4R)-4-benzyl-3-[(3R,4R)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(3S,4S)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;tert-butyl (3R,4R)-3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-1-carboxylate;(3R,4R)-3-fluoro-4-(4-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid has a molecular weight of 1815.03 g/mol, XLogP of 16.34, 22 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-benzyl-3-[(3R,4R)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(3S,4S)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;tert-butyl (3R,4R)-3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-1-carboxylate;(3R,4R)-3-fluoro-4-(4-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 161311823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).