3-[(2S,3S,4S)-2-[3-hydroxy-1-[(4-methoxyphenyl)-dimethylsilyl]propyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-1,3-oxazolidin-2-one

C26H35NO6Si — CID 23901750

IUPAC3-[(2S,3S,4S)-2-[3-hydroxy-1-[(4-methoxyphenyl)-dimethylsilyl]propyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-1,3-oxazolidin-2-one
SMILESCOc1ccc([Si](C)(C)C(CCO)[C@H]2Oc3ccc(N4CCOC4=O)cc3[C@@H](OC)[C@@H]2C)cc1
InChIInChI=1S/C26H35NO6Si/c1-17-24(31-3)21-16-18(27-13-15-32-26(27)29)6-11-22(21)33-25(17)23(12-14-28)34(4,5)20-9-7-19(30-2)8-10-20/h6-11,16-17,23-25,28H,12-15H2,1-5H3/t17-,23?,24-,25-/m0/s1
InChIKeyFEHCMKNWXAAIHZ-JVCPGREASA-N
MW485.65 g/mol
LogP4.10
Rot. Bonds8

About 3-[(2S,3S,4S)-2-[3-hydroxy-1-[(4-methoxyphenyl)-dimethylsilyl]propyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-1,3-oxazolidin-2-one

3-[(2S,3S,4S)-2-[3-hydroxy-1-[(4-methoxyphenyl)-dimethylsilyl]propyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-1,3-oxazolidin-2-one (PubChem CID 23901750) has the molecular formula C26H35NO6Si and a molecular weight of 485.65 g/mol. Its IUPAC name is 3-[(2S,3S,4S)-2-[3-hydroxy-1-[(4-methoxyphenyl)-dimethylsilyl]propyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(2S,3S,4S)-2-[3-hydroxy-1-[(4-methoxyphenyl)-dimethylsilyl]propyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-1,3-oxazolidin-2-one
PubChem CID23901750
Molecular FormulaC26H35NO6Si
Molecular Weight485.65 g/mol
Exact Mass485.22
IUPAC Name3-[(2S,3S,4S)-2-[3-hydroxy-1-[(4-methoxyphenyl)-dimethylsilyl]propyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-1,3-oxazolidin-2-one
SMILESCOc1ccc([Si](C)(C)C(CCO)[C@H]2Oc3ccc(N4CCOC4=O)cc3[C@@H](OC)[C@@H]2C)cc1
InChIInChI=1S/C26H35NO6Si/c1-17-24(31-3)21-16-18(27-13-15-32-26(27)29)6-11-22(21)33-25(17)23(12-14-28)34(4,5)20-9-7-19(30-2)8-10-20/h6-11,16-17,23-25,28H,12-15H2,1-5H3/t17-,23?,24-,25-/m0/s1
InChIKeyFEHCMKNWXAAIHZ-JVCPGREASA-N
XLogP4.10
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.65
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S,3S,4S)-2-[3-hydroxy-1-[(4-methoxyphenyl)-dimethylsilyl]propyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(2S,3S,4S)-2-[3-hydroxy-1-[(4-methoxyphenyl)-dimethylsilyl]propyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-1,3-oxazolidin-2-one (CID 23901750) is 3-[(2S,3S,4S)-2-[3-hydroxy-1-[(4-methoxyphenyl)-dimethylsilyl]propyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(2S,3S,4S)-2-[3-hydroxy-1-[(4-methoxyphenyl)-dimethylsilyl]propyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(2S,3S,4S)-2-[3-hydroxy-1-[(4-methoxyphenyl)-dimethylsilyl]propyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-1,3-oxazolidin-2-one is COc1ccc([Si](C)(C)C(CCO)[C@H]2Oc3ccc(N4CCOC4=O)cc3[C@@H](OC)[C@@H]2C)cc1.
What is the InChIKey of 3-[(2S,3S,4S)-2-[3-hydroxy-1-[(4-methoxyphenyl)-dimethylsilyl]propyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-1,3-oxazolidin-2-one?
The InChIKey is FEHCMKNWXAAIHZ-JVCPGREASA-N. The full InChI is InChI=1S/C26H35NO6Si/c1-17-24(31-3)21-16-18(27-13-15-32-26(27)29)6-11-22(21)33-25(17)23(12-14-28)34(4,5)20-9-7-19(30-2)8-10-20/h6-11,16-17,23-25,28H,12-15H2,1-5H3/t17-,23?,24-,25-/m0/s1.
What are the key properties of 3-[(2S,3S,4S)-2-[3-hydroxy-1-[(4-methoxyphenyl)-dimethylsilyl]propyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-1,3-oxazolidin-2-one?
3-[(2S,3S,4S)-2-[3-hydroxy-1-[(4-methoxyphenyl)-dimethylsilyl]propyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-1,3-oxazolidin-2-one has a molecular weight of 485.65 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,3S,4S)-2-[3-hydroxy-1-[(4-methoxyphenyl)-dimethylsilyl]propyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 23901750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).