1-[2-benzyl-4-(2-trimethylsilylethoxy)-3,6-dihydrooxazin-3-yl]ethane-1,2-diol

C18H29NO4Si — CID 74404154

IUPAC1-[2-benzyl-4-(2-trimethylsilylethoxy)-3,6-dihydrooxazin-3-yl]ethane-1,2-diol
SMILESC[Si](C)(C)CCOC1=CCON(Cc2ccccc2)C1C(O)CO
InChIInChI=1S/C18H29NO4Si/c1-24(2,3)12-11-22-17-9-10-23-19(18(17)16(21)14-20)13-15-7-5-4-6-8-15/h4-9,16,18,20-21H,10-14H2,1-3H3
InChIKeyXSFACJLKLSBPLG-UHFFFAOYSA-N
MW351.52 g/mol
LogP2.39
Rot. Bonds8

About 1-[2-benzyl-4-(2-trimethylsilylethoxy)-3,6-dihydrooxazin-3-yl]ethane-1,2-diol

1-[2-benzyl-4-(2-trimethylsilylethoxy)-3,6-dihydrooxazin-3-yl]ethane-1,2-diol (PubChem CID 74404154) has the molecular formula C18H29NO4Si and a molecular weight of 351.52 g/mol. Its IUPAC name is 1-[2-benzyl-4-(2-trimethylsilylethoxy)-3,6-dihydrooxazin-3-yl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[2-benzyl-4-(2-trimethylsilylethoxy)-3,6-dihydrooxazin-3-yl]ethane-1,2-diol
PubChem CID74404154
Molecular FormulaC18H29NO4Si
Molecular Weight351.52 g/mol
Exact Mass351.19
IUPAC Name1-[2-benzyl-4-(2-trimethylsilylethoxy)-3,6-dihydrooxazin-3-yl]ethane-1,2-diol
SMILESC[Si](C)(C)CCOC1=CCON(Cc2ccccc2)C1C(O)CO
InChIInChI=1S/C18H29NO4Si/c1-24(2,3)12-11-22-17-9-10-23-19(18(17)16(21)14-20)13-15-7-5-4-6-8-15/h4-9,16,18,20-21H,10-14H2,1-3H3
InChIKeyXSFACJLKLSBPLG-UHFFFAOYSA-N
XLogP2.39
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.52
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[2-benzyl-4-(2-trimethylsilylethoxy)-3,6-dihydrooxazin-3-yl]ethane-1,2-diol with MolForge

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Related Compounds

tert-butyl (4R)-4-[(3S)-2-benzyl-4-methoxy-3,6-dihydrooxazin-3-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 100980623
(1R)-1-[(2S,3R)-1-benzyl-3-hydroxyazetidin-2-yl]ethane-1,2-diol
CID 56649709
ethyl 2-[(3S,5S)-2-benzyl-5-[(1R)-1,2-dihydroxyethyl]-1,2-oxazolidin-3-yl]-1,3-thiazole-4-carboxylate
CID 11516409
1-(1-benzylpiperidin-4-yl)-2-phenoxyethanol
CID 59280139
[(3S)-2-benzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,6-dihydrooxazin-4-yl] dimethyl phosphate
CID 102529006
2-(1-hydroxy-2-methoxyethyl)-3,4-bis(phenylmethoxy)-2H-furan-5-one
CID 142525192
(1R)-1-[(2R,3R,4R)-1-benzyl-3,4-bis(phenylmethoxy)pyrrolidin-2-yl]ethane-1,2-diol
CID 10961028
(1R,3R,4R,5R,6S)-2-benzyl-3-[(1S)-1,2-dihydroxyethyl]-2-azabicyclo[2.2.1]heptane-5,6-diol
CID 10588744
(4R,5S,6S,7R)-4,7-dibenzyl-1,3-dipropyl-5,6-bis(2-trimethylsilylethoxymethoxy)-1,3-diazepan-2-one
CID 10556399
[(3aS,4S,7aS)-1-benzyl-3,3a,4,5,7,7a-hexahydropyrano[3,4-c][1,2]oxazol-4-yl]methoxy-tert-butyl-dimethylsilane
CID 15415065
(3R)-1-phenyl-5-trimethylsilylpentan-3-ol
CID 11601130
(1R)-1-[(5S)-3-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazol-5-yl]ethane-1,2-diol
CID 10800738

Frequently Asked Questions

What is the IUPAC name of 1-[2-benzyl-4-(2-trimethylsilylethoxy)-3,6-dihydrooxazin-3-yl]ethane-1,2-diol?
The IUPAC name of 1-[2-benzyl-4-(2-trimethylsilylethoxy)-3,6-dihydrooxazin-3-yl]ethane-1,2-diol (CID 74404154) is 1-[2-benzyl-4-(2-trimethylsilylethoxy)-3,6-dihydrooxazin-3-yl]ethane-1,2-diol.
What is the SMILES notation for 1-[2-benzyl-4-(2-trimethylsilylethoxy)-3,6-dihydrooxazin-3-yl]ethane-1,2-diol?
The canonical SMILES for 1-[2-benzyl-4-(2-trimethylsilylethoxy)-3,6-dihydrooxazin-3-yl]ethane-1,2-diol is C[Si](C)(C)CCOC1=CCON(Cc2ccccc2)C1C(O)CO.
What is the InChIKey of 1-[2-benzyl-4-(2-trimethylsilylethoxy)-3,6-dihydrooxazin-3-yl]ethane-1,2-diol?
The InChIKey is XSFACJLKLSBPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO4Si/c1-24(2,3)12-11-22-17-9-10-23-19(18(17)16(21)14-20)13-15-7-5-4-6-8-15/h4-9,16,18,20-21H,10-14H2,1-3H3.
What are the key properties of 1-[2-benzyl-4-(2-trimethylsilylethoxy)-3,6-dihydrooxazin-3-yl]ethane-1,2-diol?
1-[2-benzyl-4-(2-trimethylsilylethoxy)-3,6-dihydrooxazin-3-yl]ethane-1,2-diol has a molecular weight of 351.52 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-benzyl-4-(2-trimethylsilylethoxy)-3,6-dihydrooxazin-3-yl]ethane-1,2-diol is sourced from PubChem (CID 74404154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).