(2-oxido-4-triethylsilyloxy-4,5-dihydro-1,2-oxazol-2-ium-3-yl)-pyrrolidin-1-ylmethanone

C14H26N2O4Si — CID 24828622

IUPAC(2-oxido-4-triethylsilyloxy-4,5-dihydro-1,2-oxazol-2-ium-3-yl)-pyrrolidin-1-ylmethanone
SMILESCC[Si](CC)(CC)OC1CO[N+]([O-])=C1C(=O)N1CCCC1
InChIInChI=1S/C14H26N2O4Si/c1-4-21(5-2,6-3)20-12-11-19-16(18)13(12)14(17)15-9-7-8-10-15/h12H,4-11H2,1-3H3
InChIKeyRKSKQZGQBHFMIY-UHFFFAOYSA-N
MW314.46 g/mol
LogP1.90
Rot. Bonds6

About (2-oxido-4-triethylsilyloxy-4,5-dihydro-1,2-oxazol-2-ium-3-yl)-pyrrolidin-1-ylmethanone

(2-oxido-4-triethylsilyloxy-4,5-dihydro-1,2-oxazol-2-ium-3-yl)-pyrrolidin-1-ylmethanone (PubChem CID 24828622) has the molecular formula C14H26N2O4Si and a molecular weight of 314.46 g/mol. Its IUPAC name is (2-oxido-4-triethylsilyloxy-4,5-dihydro-1,2-oxazol-2-ium-3-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(2-oxido-4-triethylsilyloxy-4,5-dihydro-1,2-oxazol-2-ium-3-yl)-pyrrolidin-1-ylmethanone
PubChem CID24828622
Molecular FormulaC14H26N2O4Si
Molecular Weight314.46 g/mol
Exact Mass314.17
IUPAC Name(2-oxido-4-triethylsilyloxy-4,5-dihydro-1,2-oxazol-2-ium-3-yl)-pyrrolidin-1-ylmethanone
SMILESCC[Si](CC)(CC)OC1CO[N+]([O-])=C1C(=O)N1CCCC1
InChIInChI=1S/C14H26N2O4Si/c1-4-21(5-2,6-3)20-12-11-19-16(18)13(12)14(17)15-9-7-8-10-15/h12H,4-11H2,1-3H3
InChIKeyRKSKQZGQBHFMIY-UHFFFAOYSA-N
XLogP1.90
TPSA64.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-triethylsilyloxypyrrolidin-1-yl)propan-1-one
CID 11482299
[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
[4-(hydroxymethyl)-2-oxido-1,2,5-oxadiazol-2-ium-3-yl]-pyrrolidin-1-ylmethanone
CID 15225517
azepan-1-yl-(5-ethylpyridazin-3-yl)methanone
CID 59382392
(4-ethyl-1,3-oxazol-2-yl)-pyrrolidin-1-ylmethanone
CID 177348068
azepan-1-yl-(3-ethylphenyl)methanone
CID 59382478
(4-methoxythiophen-2-yl)-piperidin-1-ylmethanone
CID 79459949
propane;1-pyrrolidin-1-ylethanone
CID 143432619
azocan-1-yl-(4-ethyl-5-methylthiophen-3-yl)methanone
CID 6468462
[4-[(4-ethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone
CID 19444507
(2-ethylpyrimidin-5-yl)-[4-[(3R,4S)-4-hydroxyoxolan-3-yl]-1,4-diazepan-1-yl]methanone
CID 133115613
2-methoxy-1-[4-(5-propyl-1,3,4-oxadiazole-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 56870827

Frequently Asked Questions

What is the IUPAC name of (2-oxido-4-triethylsilyloxy-4,5-dihydro-1,2-oxazol-2-ium-3-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (2-oxido-4-triethylsilyloxy-4,5-dihydro-1,2-oxazol-2-ium-3-yl)-pyrrolidin-1-ylmethanone (CID 24828622) is (2-oxido-4-triethylsilyloxy-4,5-dihydro-1,2-oxazol-2-ium-3-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (2-oxido-4-triethylsilyloxy-4,5-dihydro-1,2-oxazol-2-ium-3-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (2-oxido-4-triethylsilyloxy-4,5-dihydro-1,2-oxazol-2-ium-3-yl)-pyrrolidin-1-ylmethanone is CC[Si](CC)(CC)OC1CO[N+]([O-])=C1C(=O)N1CCCC1.
What is the InChIKey of (2-oxido-4-triethylsilyloxy-4,5-dihydro-1,2-oxazol-2-ium-3-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is RKSKQZGQBHFMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4Si/c1-4-21(5-2,6-3)20-12-11-19-16(18)13(12)14(17)15-9-7-8-10-15/h12H,4-11H2,1-3H3.
What are the key properties of (2-oxido-4-triethylsilyloxy-4,5-dihydro-1,2-oxazol-2-ium-3-yl)-pyrrolidin-1-ylmethanone?
(2-oxido-4-triethylsilyloxy-4,5-dihydro-1,2-oxazol-2-ium-3-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 314.46 g/mol, XLogP of 1.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxido-4-triethylsilyloxy-4,5-dihydro-1,2-oxazol-2-ium-3-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 24828622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).