(3S,4S)-1,4-dihydroxy-3-methyl-4-(5-phenyl-1,2-oxazol-3-yl)-3-[(4-phenylphenyl)methoxy]butan-2-one;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;(4S)-3-[(2S,3S)-3-hydroxy-2-methyl-3-(5-phenyl-1,2-oxazol-3-yl)-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one

C101H63N3O11 — CID 123715112

About (3S,4S)-1,4-dihydroxy-3-methyl-4-(5-phenyl-1,2-oxazol-3-yl)-3-[(4-phenylphenyl)methoxy]butan-2-one;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;(4S)-3-[(2S,3S)-3-hydroxy-2-methyl-3-(5-phenyl-1,2-oxazol-3-yl)-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one

(3S,4S)-1,4-dihydroxy-3-methyl-4-(5-phenyl-1,2-oxazol-3-yl)-3-[(4-phenylphenyl)methoxy]butan-2-one;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;(4S)-3-[(2S,3S)-3-hydroxy-2-methyl-3-(5-phenyl-1,2-oxazol-3-yl)-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 123715112) has the molecular formula C101H63N3O11 and a molecular weight of 1494.62 g/mol. Its IUPAC name is (3S,4S)-1,4-dihydroxy-3-methyl-4-(5-phenyl-1,2-oxazol-3-yl)-3-[(4-phenylphenyl)methoxy]butan-2-one;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;(4S)-3-[(2S,3S)-3-hydroxy-2-methyl-3-(5-phenyl-1,2-oxazol-3-yl)-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (3S,4S)-1,4-dihydroxy-3-methyl-4-(5-phenyl-1,2-oxazol-3-yl)-3-[(4-phenylphenyl)methoxy]butan-2-one;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;(4S)-3-[(2S,3S)-3-hydroxy-2-methyl-3-(5-phenyl-1,2-oxazol-3-yl)-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
• PubChem CID: 123715112
• Molecular Formula: C101H63N3O11
• Molecular Weight: 1494.62 g/mol
• Exact Mass: 1493.45
• IUPAC Name: (3S,4S)-1,4-dihydroxy-3-methyl-4-(5-phenyl-1,2-oxazol-3-yl)-3-[(4-phenylphenyl)methoxy]butan-2-one;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;(4S)-3-[(2S,3S)-3-hydroxy-2-methyl-3-(5-phenyl-1,2-oxazol-3-yl)-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
• SMILES: C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.CC1(C)OC(=O)N(C(=O)[C@@](C)(OCc2ccc(-c3ccccc3)cc2)[C@@H](O)c2cc(-c3ccccc3)on2)[C@H]1c1ccccc1.C[C@@](OCc1ccc(-c2ccccc2)cc1)(C(=O)CO)[C@@H](O)c1cc(-c2ccccc2)on1
• InChI: InChI=1S/C37H34N2O6.C37H4.C27H25NO5/c1-36(2)32(29-17-11-6-12-18-29)39(35(42)44-36)34(41)37(3,33(40)30-23-31(45-38-30)28-15-9-5-10-16-28)43-24-25-19-21-27(22-20-25)26-13-7-4-8-14-26;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-27(25(30)17-29,26(31)23-16-24(33-28-23)22-10-6-3-7-11-22)32-18-19-12-14-21(15-13-19)20-8-4-2-5-9-20/h4-23,32-33,40H,24H2,1-3H3;1H,2H3;2-16,26,29,31H,17-18H2,1H3/t32-,33-,37-;;26-,27+/m0.0/s1
• InChIKey: VXWJHBZXQXDOCP-BUWUCNAHSA-N
• XLogP: 12.79
• TPSA: 194.89 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 18
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1494.62
LogP ≤ 5	12.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1,4-dihydroxy-3-methyl-4-(5-phenyl-1,2-oxazol-3-yl)-3-[(4-phenylphenyl)methoxy]butan-2-one;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;(4S)-3-[(2S,3S)-3-hydroxy-2-methyl-3-(5-phenyl-1,2-oxazol-3-yl)-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?

The IUPAC name of (3S,4S)-1,4-dihydroxy-3-methyl-4-(5-phenyl-1,2-oxazol-3-yl)-3-[(4-phenylphenyl)methoxy]butan-2-one;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;(4S)-3-[(2S,3S)-3-hydroxy-2-methyl-3-(5-phenyl-1,2-oxazol-3-yl)-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one (CID 123715112) is (3S,4S)-1,4-dihydroxy-3-methyl-4-(5-phenyl-1,2-oxazol-3-yl)-3-[(4-phenylphenyl)methoxy]butan-2-one;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;(4S)-3-[(2S,3S)-3-hydroxy-2-methyl-3-(5-phenyl-1,2-oxazol-3-yl)-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one.

What is the SMILES notation for (3S,4S)-1,4-dihydroxy-3-methyl-4-(5-phenyl-1,2-oxazol-3-yl)-3-[(4-phenylphenyl)methoxy]butan-2-one;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;(4S)-3-[(2S,3S)-3-hydroxy-2-methyl-3-(5-phenyl-1,2-oxazol-3-yl)-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?

The canonical SMILES for (3S,4S)-1,4-dihydroxy-3-methyl-4-(5-phenyl-1,2-oxazol-3-yl)-3-[(4-phenylphenyl)methoxy]butan-2-one;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;(4S)-3-[(2S,3S)-3-hydroxy-2-methyl-3-(5-phenyl-1,2-oxazol-3-yl)-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one is C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.CC1(C)OC(=O)N(C(=O)[C@@](C)(OCc2ccc(-c3ccccc3)cc2)[C@@H](O)c2cc(-c3ccccc3)on2)[C@H]1c1ccccc1.C[C@@](OCc1ccc(-c2ccccc2)cc1)(C(=O)CO)[C@@H](O)c1cc(-c2ccccc2)on1.

What is the InChIKey of (3S,4S)-1,4-dihydroxy-3-methyl-4-(5-phenyl-1,2-oxazol-3-yl)-3-[(4-phenylphenyl)methoxy]butan-2-one;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;(4S)-3-[(2S,3S)-3-hydroxy-2-methyl-3-(5-phenyl-1,2-oxazol-3-yl)-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?

The InChIKey is VXWJHBZXQXDOCP-BUWUCNAHSA-N. The full InChI is InChI=1S/C37H34N2O6.C37H4.C27H25NO5/c1-36(2)32(29-17-11-6-12-18-29)39(35(42)44-36)34(41)37(3,33(40)30-23-31(45-38-30)28-15-9-5-10-16-28)43-24-25-19-21-27(22-20-25)26-13-7-4-8-14-26;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-27(25(30)17-29,26(31)23-16-24(33-28-23)22-10-6-3-7-11-22)32-18-19-12-14-21(15-13-19)20-8-4-2-5-9-20/h4-23,32-33,40H,24H2,1-3H3;1H,2H3;2-16,26,29,31H,17-18H2,1H3/t32-,33-,37-;;26-,27+/m0.0/s1.

What are the key properties of (3S,4S)-1,4-dihydroxy-3-methyl-4-(5-phenyl-1,2-oxazol-3-yl)-3-[(4-phenylphenyl)methoxy]butan-2-one;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;(4S)-3-[(2S,3S)-3-hydroxy-2-methyl-3-(5-phenyl-1,2-oxazol-3-yl)-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?

(3S,4S)-1,4-dihydroxy-3-methyl-4-(5-phenyl-1,2-oxazol-3-yl)-3-[(4-phenylphenyl)methoxy]butan-2-one;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;(4S)-3-[(2S,3S)-3-hydroxy-2-methyl-3-(5-phenyl-1,2-oxazol-3-yl)-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 1494.62 g/mol, XLogP of 12.79, 18 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,4S)-1,4-dihydroxy-3-methyl-4-(5-phenyl-1,2-oxazol-3-yl)-3-[(4-phenylphenyl)methoxy]butan-2-one;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;(4S)-3-[(2S,3S)-3-hydroxy-2-methyl-3-(5-phenyl-1,2-oxazol-3-yl)-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 123715112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).