3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-hydroxy-5-trimethylsilylpent-4-ynyl)-1,3-oxazolidin-2-one

C19H25NO5Si — CID 66736524

IUPAC3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-hydroxy-5-trimethylsilylpent-4-ynyl)-1,3-oxazolidin-2-one
SMILESC[Si](C)(C)C#CC(O)CCC1CN(c2ccc3c(c2)OCCO3)C(=O)O1
InChIInChI=1S/C19H25NO5Si/c1-26(2,3)11-8-15(21)5-6-16-13-20(19(22)25-16)14-4-7-17-18(12-14)24-10-9-23-17/h4,7,12,15-16,21H,5-6,9-10,13H2,1-3H3
InChIKeySUIUGXPHLTYVED-UHFFFAOYSA-N
MW375.50 g/mol
LogP2.80
Rot. Bonds4

About 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-hydroxy-5-trimethylsilylpent-4-ynyl)-1,3-oxazolidin-2-one

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-hydroxy-5-trimethylsilylpent-4-ynyl)-1,3-oxazolidin-2-one (PubChem CID 66736524) has the molecular formula C19H25NO5Si and a molecular weight of 375.50 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-hydroxy-5-trimethylsilylpent-4-ynyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-hydroxy-5-trimethylsilylpent-4-ynyl)-1,3-oxazolidin-2-one
PubChem CID66736524
Molecular FormulaC19H25NO5Si
Molecular Weight375.50 g/mol
Exact Mass375.15
IUPAC Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-hydroxy-5-trimethylsilylpent-4-ynyl)-1,3-oxazolidin-2-one
SMILESC[Si](C)(C)C#CC(O)CCC1CN(c2ccc3c(c2)OCCO3)C(=O)O1
InChIInChI=1S/C19H25NO5Si/c1-26(2,3)11-8-15(21)5-6-16-13-20(19(22)25-16)14-4-7-17-18(12-14)24-10-9-23-17/h4,7,12,15-16,21H,5-6,9-10,13H2,1-3H3
InChIKeySUIUGXPHLTYVED-UHFFFAOYSA-N
XLogP2.80
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-hydroxy-5-trimethylsilylpent-4-ynyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-hydroxy-5-trimethylsilylpent-4-ynyl)-1,3-oxazolidin-2-one (CID 66736524) is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-hydroxy-5-trimethylsilylpent-4-ynyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-hydroxy-5-trimethylsilylpent-4-ynyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-hydroxy-5-trimethylsilylpent-4-ynyl)-1,3-oxazolidin-2-one is C[Si](C)(C)C#CC(O)CCC1CN(c2ccc3c(c2)OCCO3)C(=O)O1.
What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-hydroxy-5-trimethylsilylpent-4-ynyl)-1,3-oxazolidin-2-one?
The InChIKey is SUIUGXPHLTYVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO5Si/c1-26(2,3)11-8-15(21)5-6-16-13-20(19(22)25-16)14-4-7-17-18(12-14)24-10-9-23-17/h4,7,12,15-16,21H,5-6,9-10,13H2,1-3H3.
What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-hydroxy-5-trimethylsilylpent-4-ynyl)-1,3-oxazolidin-2-one?
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-hydroxy-5-trimethylsilylpent-4-ynyl)-1,3-oxazolidin-2-one has a molecular weight of 375.50 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-hydroxy-5-trimethylsilylpent-4-ynyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 66736524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).