[4-[[(4S,5S)-5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1,3-oxazolidin-4-yl]methoxy]-2-methylbutan-2-yl]-methylsilanylium

C19H32NO5Si+ — CID 147433162

IUPAC[4-[[(4S,5S)-5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1,3-oxazolidin-4-yl]methoxy]-2-methylbutan-2-yl]-methylsilanylium
SMILESCOCCOc1ccc([C@@H]2OC(=O)N[C@H]2COCCC(C)(C)[SiH3+]C)cc1
InChIInChI=1S/C19H32NO5Si/c1-19(2,26-4)9-10-23-13-16-17(25-18(21)20-16)14-5-7-15(8-6-14)24-12-11-22-3/h5-8,16-17H,9-13H2,1-4,26H3,(H,20,21)/q+1/t16-,17-/m0/s1
InChIKeyIKYMBFCNRGXBDU-IRXDYDNUSA-N
MW382.55 g/mol
LogP2.42
Rot. Bonds11

About [4-[[(4S,5S)-5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1,3-oxazolidin-4-yl]methoxy]-2-methylbutan-2-yl]-methylsilanylium

[4-[[(4S,5S)-5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1,3-oxazolidin-4-yl]methoxy]-2-methylbutan-2-yl]-methylsilanylium (PubChem CID 147433162) has the molecular formula C19H32NO5Si+ and a molecular weight of 382.55 g/mol. Its IUPAC name is [4-[[(4S,5S)-5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1,3-oxazolidin-4-yl]methoxy]-2-methylbutan-2-yl]-methylsilanylium.

Molecular Properties

Compound Name[4-[[(4S,5S)-5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1,3-oxazolidin-4-yl]methoxy]-2-methylbutan-2-yl]-methylsilanylium
PubChem CID147433162
Molecular FormulaC19H32NO5Si+
Molecular Weight382.55 g/mol
Exact Mass382.20
IUPAC Name[4-[[(4S,5S)-5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1,3-oxazolidin-4-yl]methoxy]-2-methylbutan-2-yl]-methylsilanylium
SMILESCOCCOc1ccc([C@@H]2OC(=O)N[C@H]2COCCC(C)(C)[SiH3+]C)cc1
InChIInChI=1S/C19H32NO5Si/c1-19(2,26-4)9-10-23-13-16-17(25-18(21)20-16)14-5-7-15(8-6-14)24-12-11-22-3/h5-8,16-17H,9-13H2,1-4,26H3,(H,20,21)/q+1/t16-,17-/m0/s1
InChIKeyIKYMBFCNRGXBDU-IRXDYDNUSA-N
XLogP2.42
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[[(4S,5S)-5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1,3-oxazolidin-4-yl]methoxy]-2-methylbutan-2-yl]-methylsilanylium?
The IUPAC name of [4-[[(4S,5S)-5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1,3-oxazolidin-4-yl]methoxy]-2-methylbutan-2-yl]-methylsilanylium (CID 147433162) is [4-[[(4S,5S)-5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1,3-oxazolidin-4-yl]methoxy]-2-methylbutan-2-yl]-methylsilanylium.
What is the SMILES notation for [4-[[(4S,5S)-5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1,3-oxazolidin-4-yl]methoxy]-2-methylbutan-2-yl]-methylsilanylium?
The canonical SMILES for [4-[[(4S,5S)-5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1,3-oxazolidin-4-yl]methoxy]-2-methylbutan-2-yl]-methylsilanylium is COCCOc1ccc([C@@H]2OC(=O)N[C@H]2COCCC(C)(C)[SiH3+]C)cc1.
What is the InChIKey of [4-[[(4S,5S)-5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1,3-oxazolidin-4-yl]methoxy]-2-methylbutan-2-yl]-methylsilanylium?
The InChIKey is IKYMBFCNRGXBDU-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H32NO5Si/c1-19(2,26-4)9-10-23-13-16-17(25-18(21)20-16)14-5-7-15(8-6-14)24-12-11-22-3/h5-8,16-17H,9-13H2,1-4,26H3,(H,20,21)/q+1/t16-,17-/m0/s1.
What are the key properties of [4-[[(4S,5S)-5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1,3-oxazolidin-4-yl]methoxy]-2-methylbutan-2-yl]-methylsilanylium?
[4-[[(4S,5S)-5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1,3-oxazolidin-4-yl]methoxy]-2-methylbutan-2-yl]-methylsilanylium has a molecular weight of 382.55 g/mol, XLogP of 2.42, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(4S,5S)-5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1,3-oxazolidin-4-yl]methoxy]-2-methylbutan-2-yl]-methylsilanylium is sourced from PubChem (CID 147433162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).