[5-(hydroxymethyl)-3-triethylsilyloxy-2,3,4,5-tetrahydro-[1,2]oxazolo[2,3-b][1,2]oxazol-3a-yl]-pyrrolidin-1-ylmethanone

C17H32N2O5Si — CID 74327351

IUPAC[5-(hydroxymethyl)-3-triethylsilyloxy-2,3,4,5-tetrahydro-[1,2]oxazolo[2,3-b][1,2]oxazol-3a-yl]-pyrrolidin-1-ylmethanone
SMILESCC[Si](CC)(CC)OC1CON2OC(CO)CC12C(=O)N1CCCC1
InChIInChI=1S/C17H32N2O5Si/c1-4-25(5-2,6-3)24-15-13-22-19-17(15,11-14(12-20)23-19)16(21)18-9-7-8-10-18/h14-15,20H,4-13H2,1-3H3
InChIKeyTWRIGOKQTLTANM-UHFFFAOYSA-N
MW372.54 g/mol
LogP1.68
Rot. Bonds7

About [5-(hydroxymethyl)-3-triethylsilyloxy-2,3,4,5-tetrahydro-[1,2]oxazolo[2,3-b][1,2]oxazol-3a-yl]-pyrrolidin-1-ylmethanone

[5-(hydroxymethyl)-3-triethylsilyloxy-2,3,4,5-tetrahydro-[1,2]oxazolo[2,3-b][1,2]oxazol-3a-yl]-pyrrolidin-1-ylmethanone (PubChem CID 74327351) has the molecular formula C17H32N2O5Si and a molecular weight of 372.54 g/mol. Its IUPAC name is [5-(hydroxymethyl)-3-triethylsilyloxy-2,3,4,5-tetrahydro-[1,2]oxazolo[2,3-b][1,2]oxazol-3a-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(hydroxymethyl)-3-triethylsilyloxy-2,3,4,5-tetrahydro-[1,2]oxazolo[2,3-b][1,2]oxazol-3a-yl]-pyrrolidin-1-ylmethanone
PubChem CID74327351
Molecular FormulaC17H32N2O5Si
Molecular Weight372.54 g/mol
Exact Mass372.21
IUPAC Name[5-(hydroxymethyl)-3-triethylsilyloxy-2,3,4,5-tetrahydro-[1,2]oxazolo[2,3-b][1,2]oxazol-3a-yl]-pyrrolidin-1-ylmethanone
SMILESCC[Si](CC)(CC)OC1CON2OC(CO)CC12C(=O)N1CCCC1
InChIInChI=1S/C17H32N2O5Si/c1-4-25(5-2,6-3)24-15-13-22-19-17(15,11-14(12-20)23-19)16(21)18-9-7-8-10-18/h14-15,20H,4-13H2,1-3H3
InChIKeyTWRIGOKQTLTANM-UHFFFAOYSA-N
XLogP1.68
TPSA71.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [5-(hydroxymethyl)-3-triethylsilyloxy-2,3,4,5-tetrahydro-[1,2]oxazolo[2,3-b][1,2]oxazol-3a-yl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

(2-oxido-4-triethylsilyloxy-4,5-dihydro-1,2-oxazol-2-ium-3-yl)-pyrrolidin-1-ylmethanone
CID 24828622
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-piperidin-1-ylmethanone
CID 81218847
3-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]piperidine-1-carboxamide
CID 114778938
1-(3-triethylsilyloxypyrrolidin-1-yl)propan-1-one
CID 11482299
3-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]piperidine-1-carboxamide
CID 81209250
propane;1-pyrrolidin-1-ylethanone
CID 143432619
N-[(2S,3R,6R)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)oxan-3-yl]-2-methoxyacetamide
CID 54639482
N-[(2R,3R,6S)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)oxan-3-yl]-2-methoxybenzenesulfonamide
CID 54643898
(2-methylpyrimidin-5-yl)-[1-(pyrrolidine-1-carbonyl)-2-azabicyclo[3.1.0]hexan-2-yl]methanone
CID 155879645
2-[hydroxymethyl(dimethyl)silyl]ethynyl pyrrolidine-1-carboxylate
CID 156640072
2-ethoxy-1-[4-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]piperidin-1-yl]ethanone
CID 135108988
azepan-1-yl-(2-propylpyrazol-3-yl)methanone
CID 35522312

Frequently Asked Questions

What is the IUPAC name of [5-(hydroxymethyl)-3-triethylsilyloxy-2,3,4,5-tetrahydro-[1,2]oxazolo[2,3-b][1,2]oxazol-3a-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-(hydroxymethyl)-3-triethylsilyloxy-2,3,4,5-tetrahydro-[1,2]oxazolo[2,3-b][1,2]oxazol-3a-yl]-pyrrolidin-1-ylmethanone (CID 74327351) is [5-(hydroxymethyl)-3-triethylsilyloxy-2,3,4,5-tetrahydro-[1,2]oxazolo[2,3-b][1,2]oxazol-3a-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-(hydroxymethyl)-3-triethylsilyloxy-2,3,4,5-tetrahydro-[1,2]oxazolo[2,3-b][1,2]oxazol-3a-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-(hydroxymethyl)-3-triethylsilyloxy-2,3,4,5-tetrahydro-[1,2]oxazolo[2,3-b][1,2]oxazol-3a-yl]-pyrrolidin-1-ylmethanone is CC[Si](CC)(CC)OC1CON2OC(CO)CC12C(=O)N1CCCC1.
What is the InChIKey of [5-(hydroxymethyl)-3-triethylsilyloxy-2,3,4,5-tetrahydro-[1,2]oxazolo[2,3-b][1,2]oxazol-3a-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is TWRIGOKQTLTANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O5Si/c1-4-25(5-2,6-3)24-15-13-22-19-17(15,11-14(12-20)23-19)16(21)18-9-7-8-10-18/h14-15,20H,4-13H2,1-3H3.
What are the key properties of [5-(hydroxymethyl)-3-triethylsilyloxy-2,3,4,5-tetrahydro-[1,2]oxazolo[2,3-b][1,2]oxazol-3a-yl]-pyrrolidin-1-ylmethanone?
[5-(hydroxymethyl)-3-triethylsilyloxy-2,3,4,5-tetrahydro-[1,2]oxazolo[2,3-b][1,2]oxazol-3a-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 372.54 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(hydroxymethyl)-3-triethylsilyloxy-2,3,4,5-tetrahydro-[1,2]oxazolo[2,3-b][1,2]oxazol-3a-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 74327351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).