(4R)-4-[(4R,5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one

C28H45NO8Si — CID 134845723

IUPAC(4R)-4-[(4R,5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(CN2C(=O)OC[C@@H]2[C@H]2OC(C)(C)O[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2COC(C)(C)O2)cc1
InChIInChI=1S/C28H45NO8Si/c1-26(2,3)38(9,10)37-23(21-17-33-27(4,5)34-21)24-22(35-28(6,7)36-24)20-16-32-25(30)29(20)15-18-11-13-19(31-8)14-12-18/h11-14,20-24H,15-17H2,1-10H3/t20-,21-,22-,23-,24-/m1/s1
InChIKeyCFGMBNIABILEIR-MRKXFKPJSA-N
MW551.75 g/mol
LogP5.08
Rot. Bonds8

About (4R)-4-[(4R,5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one

(4R)-4-[(4R,5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one (PubChem CID 134845723) has the molecular formula C28H45NO8Si and a molecular weight of 551.75 g/mol. Its IUPAC name is (4R)-4-[(4R,5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(4R,5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
PubChem CID134845723
Molecular FormulaC28H45NO8Si
Molecular Weight551.75 g/mol
Exact Mass551.29
IUPAC Name(4R)-4-[(4R,5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(CN2C(=O)OC[C@@H]2[C@H]2OC(C)(C)O[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2COC(C)(C)O2)cc1
InChIInChI=1S/C28H45NO8Si/c1-26(2,3)38(9,10)37-23(21-17-33-27(4,5)34-21)24-22(35-28(6,7)36-24)20-16-32-25(30)29(20)15-18-11-13-19(31-8)14-12-18/h11-14,20-24H,15-17H2,1-10H3/t20-,21-,22-,23-,24-/m1/s1
InChIKeyCFGMBNIABILEIR-MRKXFKPJSA-N
XLogP5.08
TPSA84.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.75
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (4R)-4-[(4R,5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(4R,5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-[(4R,5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one (CID 134845723) is (4R)-4-[(4R,5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-[(4R,5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-[(4R,5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one is COc1ccc(CN2C(=O)OC[C@@H]2[C@H]2OC(C)(C)O[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2COC(C)(C)O2)cc1.
What is the InChIKey of (4R)-4-[(4R,5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is CFGMBNIABILEIR-MRKXFKPJSA-N. The full InChI is InChI=1S/C28H45NO8Si/c1-26(2,3)38(9,10)37-23(21-17-33-27(4,5)34-21)24-22(35-28(6,7)36-24)20-16-32-25(30)29(20)15-18-11-13-19(31-8)14-12-18/h11-14,20-24H,15-17H2,1-10H3/t20-,21-,22-,23-,24-/m1/s1.
What are the key properties of (4R)-4-[(4R,5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one?
(4R)-4-[(4R,5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 551.75 g/mol, XLogP of 5.08, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(4R,5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 134845723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).