(3S,4S)-4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazol-3-yl]-3-[[4-(4-fluorophenyl)phenyl]methoxy]-1,4-dihydroxy-3-methylbutan-2-one;(4S)-3-[(2S,3S)-3-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazol-3-yl]-2-[[4-(4-fluorophenyl)phenyl]methoxy]-3-hydroxy-2-methylpropanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;pentapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53-heptacosayne

C121H85F2N3O13Si2 — CID 123287597

About (3S,4S)-4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazol-3-yl]-3-[[4-(4-fluorophenyl)phenyl]methoxy]-1,4-dihydroxy-3-methylbutan-2-one;(4S)-3-[(2S,3S)-3-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazol-3-yl]-2-[[4-(4-fluorophenyl)phenyl]methoxy]-3-hydroxy-2-methylpropanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;pentapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53-heptacosayne

(3S,4S)-4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazol-3-yl]-3-[[4-(4-fluorophenyl)phenyl]methoxy]-1,4-dihydroxy-3-methylbutan-2-one;(4S)-3-[(2S,3S)-3-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazol-3-yl]-2-[[4-(4-fluorophenyl)phenyl]methoxy]-3-hydroxy-2-methylpropanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;pentapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53-heptacosayne (PubChem CID 123287597) has the molecular formula C121H85F2N3O13Si2 and a molecular weight of 1883.19 g/mol. Its IUPAC name is (3S,4S)-4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazol-3-yl]-3-[[4-(4-fluorophenyl)phenyl]methoxy]-1,4-dihydroxy-3-methylbutan-2-one;(4S)-3-[(2S,3S)-3-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazol-3-yl]-2-[[4-(4-fluorophenyl)phenyl]methoxy]-3-hydroxy-2-methylpropanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;pentapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53-heptacosayne.

Molecular Properties

• Compound Name: (3S,4S)-4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazol-3-yl]-3-[[4-(4-fluorophenyl)phenyl]methoxy]-1,4-dihydroxy-3-methylbutan-2-one;(4S)-3-[(2S,3S)-3-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazol-3-yl]-2-[[4-(4-fluorophenyl)phenyl]methoxy]-3-hydroxy-2-methylpropanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;pentapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53-heptacosayne
• PubChem CID: 123287597
• Molecular Formula: C121H85F2N3O13Si2
• Molecular Weight: 1883.19 g/mol
• Exact Mass: 1881.56
• IUPAC Name: (3S,4S)-4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazol-3-yl]-3-[[4-(4-fluorophenyl)phenyl]methoxy]-1,4-dihydroxy-3-methylbutan-2-one;(4S)-3-[(2S,3S)-3-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazol-3-yl]-2-[[4-(4-fluorophenyl)phenyl]methoxy]-3-hydroxy-2-methylpropanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;pentapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53-heptacosayne
• SMILES: C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.CC(C)(C)[Si](C)(C)OCc1cc([C@H](O)[C@](C)(OCc2ccc(-c3ccc(F)cc3)cc2)C(=O)CO)no1.CC1(C)OC(=O)N(C(=O)[C@@](C)(OCc2ccc(-c3ccc(F)cc3)cc2)[C@@H](O)c2cc(CO[Si](C)(C)C(C)(C)C)on2)[C@H]1c1ccccc1
• InChI: InChI=1S/C55H4.C38H45FN2O7Si.C28H36FNO6Si/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-36(2,3)49(7,8)46-24-30-22-31(40-48-30)33(42)38(6,45-23-25-14-16-26(17-15-25)27-18-20-29(39)21-19-27)34(43)41-32(28-12-10-9-11-13-28)37(4,5)47-35(41)44;1-27(2,3)37(5,6)35-18-23-15-24(30-36-23)26(33)28(4,25(32)16-31)34-17-19-7-9-20(10-8-19)21-11-13-22(29)14-12-21/h1H,2H3;9-22,32-33,42H,23-24H2,1-8H3;7-15,26,31,33H,16-18H2,1-6H3/t;32-,33-,38-;26-,28+/m.00/s1
• InChIKey: ANUOFFGIXLEPSM-WDRVNQHNSA-N
• XLogP: 14.81
• TPSA: 213.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 22
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1883.19
LogP ≤ 5	14.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazol-3-yl]-3-[[4-(4-fluorophenyl)phenyl]methoxy]-1,4-dihydroxy-3-methylbutan-2-one;(4S)-3-[(2S,3S)-3-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazol-3-yl]-2-[[4-(4-fluorophenyl)phenyl]methoxy]-3-hydroxy-2-methylpropanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;pentapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53-heptacosayne?

The IUPAC name of (3S,4S)-4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazol-3-yl]-3-[[4-(4-fluorophenyl)phenyl]methoxy]-1,4-dihydroxy-3-methylbutan-2-one;(4S)-3-[(2S,3S)-3-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazol-3-yl]-2-[[4-(4-fluorophenyl)phenyl]methoxy]-3-hydroxy-2-methylpropanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;pentapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53-heptacosayne (CID 123287597) is (3S,4S)-4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazol-3-yl]-3-[[4-(4-fluorophenyl)phenyl]methoxy]-1,4-dihydroxy-3-methylbutan-2-one;(4S)-3-[(2S,3S)-3-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazol-3-yl]-2-[[4-(4-fluorophenyl)phenyl]methoxy]-3-hydroxy-2-methylpropanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;pentapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53-heptacosayne.

What is the SMILES notation for (3S,4S)-4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazol-3-yl]-3-[[4-(4-fluorophenyl)phenyl]methoxy]-1,4-dihydroxy-3-methylbutan-2-one;(4S)-3-[(2S,3S)-3-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazol-3-yl]-2-[[4-(4-fluorophenyl)phenyl]methoxy]-3-hydroxy-2-methylpropanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;pentapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53-heptacosayne?

The canonical SMILES for (3S,4S)-4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazol-3-yl]-3-[[4-(4-fluorophenyl)phenyl]methoxy]-1,4-dihydroxy-3-methylbutan-2-one;(4S)-3-[(2S,3S)-3-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazol-3-yl]-2-[[4-(4-fluorophenyl)phenyl]methoxy]-3-hydroxy-2-methylpropanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;pentapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53-heptacosayne is C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.CC(C)(C)[Si](C)(C)OCc1cc([C@H](O)[C@](C)(OCc2ccc(-c3ccc(F)cc3)cc2)C(=O)CO)no1.CC1(C)OC(=O)N(C(=O)[C@@](C)(OCc2ccc(-c3ccc(F)cc3)cc2)[C@@H](O)c2cc(CO[Si](C)(C)C(C)(C)C)on2)[C@H]1c1ccccc1.

What is the InChIKey of (3S,4S)-4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazol-3-yl]-3-[[4-(4-fluorophenyl)phenyl]methoxy]-1,4-dihydroxy-3-methylbutan-2-one;(4S)-3-[(2S,3S)-3-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazol-3-yl]-2-[[4-(4-fluorophenyl)phenyl]methoxy]-3-hydroxy-2-methylpropanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;pentapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53-heptacosayne?

The InChIKey is ANUOFFGIXLEPSM-WDRVNQHNSA-N. The full InChI is InChI=1S/C55H4.C38H45FN2O7Si.C28H36FNO6Si/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-36(2,3)49(7,8)46-24-30-22-31(40-48-30)33(42)38(6,45-23-25-14-16-26(17-15-25)27-18-20-29(39)21-19-27)34(43)41-32(28-12-10-9-11-13-28)37(4,5)47-35(41)44;1-27(2,3)37(5,6)35-18-23-15-24(30-36-23)26(33)28(4,25(32)16-31)34-17-19-7-9-20(10-8-19)21-11-13-22(29)14-12-21/h1H,2H3;9-22,32-33,42H,23-24H2,1-8H3;7-15,26,31,33H,16-18H2,1-6H3/t;32-,33-,38-;26-,28+/m.00/s1.

What are the key properties of (3S,4S)-4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazol-3-yl]-3-[[4-(4-fluorophenyl)phenyl]methoxy]-1,4-dihydroxy-3-methylbutan-2-one;(4S)-3-[(2S,3S)-3-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazol-3-yl]-2-[[4-(4-fluorophenyl)phenyl]methoxy]-3-hydroxy-2-methylpropanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;pentapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53-heptacosayne?

(3S,4S)-4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazol-3-yl]-3-[[4-(4-fluorophenyl)phenyl]methoxy]-1,4-dihydroxy-3-methylbutan-2-one;(4S)-3-[(2S,3S)-3-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazol-3-yl]-2-[[4-(4-fluorophenyl)phenyl]methoxy]-3-hydroxy-2-methylpropanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;pentapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53-heptacosayne has a molecular weight of 1883.19 g/mol, XLogP of 14.81, 22 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,4S)-4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazol-3-yl]-3-[[4-(4-fluorophenyl)phenyl]methoxy]-1,4-dihydroxy-3-methylbutan-2-one;(4S)-3-[(2S,3S)-3-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazol-3-yl]-2-[[4-(4-fluorophenyl)phenyl]methoxy]-3-hydroxy-2-methylpropanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;pentapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53-heptacosayne is sourced from PubChem (CID 123287597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).