tert-butyl-[2-[[7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl]oxy]ethoxy]-dimethylsilane

C23H33FN2O3Si — CID 174053139

IUPACtert-butyl-[2-[[7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl]oxy]ethoxy]-dimethylsilane
SMILESCC1COc2nc(OCCO[Si](C)(C)C(C)(C)C)c(Cc3ccc(F)cc3)cc2N1
InChIInChI=1S/C23H33FN2O3Si/c1-16-15-28-22-20(25-16)14-18(13-17-7-9-19(24)10-8-17)21(26-22)27-11-12-29-30(5,6)23(2,3)4/h7-10,14,16,25H,11-13,15H2,1-6H3
InChIKeyNQLYZRPZSIHPJM-UHFFFAOYSA-N
MW432.61 g/mol
LogP5.40
Rot. Bonds7

About tert-butyl-[2-[[7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl]oxy]ethoxy]-dimethylsilane

tert-butyl-[2-[[7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl]oxy]ethoxy]-dimethylsilane (PubChem CID 174053139) has the molecular formula C23H33FN2O3Si and a molecular weight of 432.61 g/mol. Its IUPAC name is tert-butyl-[2-[[7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl]oxy]ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[[7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl]oxy]ethoxy]-dimethylsilane
PubChem CID174053139
Molecular FormulaC23H33FN2O3Si
Molecular Weight432.61 g/mol
Exact Mass432.22
IUPAC Nametert-butyl-[2-[[7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl]oxy]ethoxy]-dimethylsilane
SMILESCC1COc2nc(OCCO[Si](C)(C)C(C)(C)C)c(Cc3ccc(F)cc3)cc2N1
InChIInChI=1S/C23H33FN2O3Si/c1-16-15-28-22-20(25-16)14-18(13-17-7-9-19(24)10-8-17)21(26-22)27-11-12-29-30(5,6)23(2,3)4/h7-10,14,16,25H,11-13,15H2,1-6H3
InChIKeyNQLYZRPZSIHPJM-UHFFFAOYSA-N
XLogP5.40
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.61
LogP ≤ 55.40
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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Related Compounds

[(2S)-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl] N-tert-butylcarbamate
CID 175410882
[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-[7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl]methanone
CID 174053451
(2S)-N-ethyl-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine-6-carboxamide
CID 167526455
tert-butyl (2R,5S)-4-[2-[(2S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]-2-oxoethyl]-5-[[(3R,5R)-3,5-dimethylmorpholin-4-yl]methyl]-2-methylpiperazine-1-carboxylate
CID 167526877
tert-butyl (2S)-6-acetyloxy-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate
CID 167526763
2-[(5-bromo-3-fluoro-2-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane
CID 178175998
2-[(2R,5R)-2-[[(3R,5R)-3,5-dimethylmorpholin-4-yl]methyl]-5-methylpiperazin-1-yl]-1-[6-ethoxy-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]ethanone
CID 168840326
tert-butyl-dimethyl-[2-[4-(trifluoromethyl)phenoxy]ethoxy]silane
CID 70670992
2-[(3-bromo-5-methyl-2-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane
CID 163767942
2-(2-bromo-6-fluorophenoxy)ethoxy-tert-butyl-dimethylsilane
CID 58242265
tert-butyl N-[(2S)-1-(2-chloroacetyl)-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-yl]carbamate
CID 167526967
[3-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-(trifluoromethyl)phenyl]methanol
CID 70249613

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[[7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl]oxy]ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-[[7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl]oxy]ethoxy]-dimethylsilane (CID 174053139) is tert-butyl-[2-[[7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl]oxy]ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[[7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl]oxy]ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[[7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl]oxy]ethoxy]-dimethylsilane is CC1COc2nc(OCCO[Si](C)(C)C(C)(C)C)c(Cc3ccc(F)cc3)cc2N1.
What is the InChIKey of tert-butyl-[2-[[7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl]oxy]ethoxy]-dimethylsilane?
The InChIKey is NQLYZRPZSIHPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33FN2O3Si/c1-16-15-28-22-20(25-16)14-18(13-17-7-9-19(24)10-8-17)21(26-22)27-11-12-29-30(5,6)23(2,3)4/h7-10,14,16,25H,11-13,15H2,1-6H3.
What are the key properties of tert-butyl-[2-[[7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl]oxy]ethoxy]-dimethylsilane?
tert-butyl-[2-[[7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl]oxy]ethoxy]-dimethylsilane has a molecular weight of 432.61 g/mol, XLogP of 5.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[[7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl]oxy]ethoxy]-dimethylsilane is sourced from PubChem (CID 174053139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).