[(2S,3R)-3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methyl-2-(4-methylphenyl)oxiran-2-yl]-trimethylsilane

C18H27NO2Si — CID 15536655

IUPAC[(2S,3R)-3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methyl-2-(4-methylphenyl)oxiran-2-yl]-trimethylsilane
SMILESCc1ccc([C@@]2([Si](C)(C)C)O[C@]2(C)C2=NC(C)(C)CO2)cc1
InChIInChI=1S/C18H27NO2Si/c1-13-8-10-14(11-9-13)18(22(5,6)7)17(4,21-18)15-19-16(2,3)12-20-15/h8-11H,12H2,1-7H3/t17-,18+/m1/s1
InChIKeyWFYNTVDCXKSHGB-MSOLQXFVSA-N
MW317.51 g/mol
LogP4.06
Rot. Bonds3

About [(2S,3R)-3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methyl-2-(4-methylphenyl)oxiran-2-yl]-trimethylsilane

[(2S,3R)-3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methyl-2-(4-methylphenyl)oxiran-2-yl]-trimethylsilane (PubChem CID 15536655) has the molecular formula C18H27NO2Si and a molecular weight of 317.51 g/mol. Its IUPAC name is [(2S,3R)-3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methyl-2-(4-methylphenyl)oxiran-2-yl]-trimethylsilane.

Molecular Properties

Compound Name[(2S,3R)-3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methyl-2-(4-methylphenyl)oxiran-2-yl]-trimethylsilane
PubChem CID15536655
Molecular FormulaC18H27NO2Si
Molecular Weight317.51 g/mol
Exact Mass317.18
IUPAC Name[(2S,3R)-3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methyl-2-(4-methylphenyl)oxiran-2-yl]-trimethylsilane
SMILESCc1ccc([C@@]2([Si](C)(C)C)O[C@]2(C)C2=NC(C)(C)CO2)cc1
InChIInChI=1S/C18H27NO2Si/c1-13-8-10-14(11-9-13)18(22(5,6)7)17(4,21-18)15-19-16(2,3)12-20-15/h8-11H,12H2,1-7H3/t17-,18+/m1/s1
InChIKeyWFYNTVDCXKSHGB-MSOLQXFVSA-N
XLogP4.06
TPSA34.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.51
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2S,3S)-2-deuterio-3-(4-methylphenyl)oxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole
CID 134998902
2-(3,3-diphenyloxiran-2-yl)-4,4-dimethyl-5H-1,3-oxazole
CID 11033697
(4S)-2-[(2S,3R)-2-methyl-3-phenyloxiran-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 11322544
2-(2-ethyl-3,3-diphenyloxiran-2-yl)-4,4-dimethyl-5H-1,3-oxazole
CID 12969918
2-[(2S,3R)-2,3-dimethyl-3-(4-methylphenyl)oxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole
CID 15402864
2-[(2S,3R)-3-deuterio-2-methyl-3-(4-methylphenyl)oxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole
CID 15472098
4,4-dimethyl-2-[(2S,3R)-3-(4-methylphenyl)oxiran-2-yl]-5H-1,3-oxazole
CID 15892644
[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-triethylsilane
CID 85788592
4,4-dimethyl-2-[(2S,3R)-2-methyl-3-(4-methylphenyl)oxiran-2-yl]-5H-1,3-oxazole
CID 100931875
4,4-dimethyl-2-[(2S,3S)-3-(4-methylphenyl)oxiran-2-yl]-5H-1,3-oxazole
CID 100931876
4,4-dimethyl-2-[(2S,3S)-2-methyl-3-(4-methylphenyl)oxiran-2-yl]-5H-1,3-oxazole
CID 101717469
2-[(2R)-3,3-diphenyloxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole
CID 101992705

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methyl-2-(4-methylphenyl)oxiran-2-yl]-trimethylsilane?
The IUPAC name of [(2S,3R)-3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methyl-2-(4-methylphenyl)oxiran-2-yl]-trimethylsilane (CID 15536655) is [(2S,3R)-3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methyl-2-(4-methylphenyl)oxiran-2-yl]-trimethylsilane.
What is the SMILES notation for [(2S,3R)-3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methyl-2-(4-methylphenyl)oxiran-2-yl]-trimethylsilane?
The canonical SMILES for [(2S,3R)-3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methyl-2-(4-methylphenyl)oxiran-2-yl]-trimethylsilane is Cc1ccc([C@@]2([Si](C)(C)C)O[C@]2(C)C2=NC(C)(C)CO2)cc1.
What is the InChIKey of [(2S,3R)-3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methyl-2-(4-methylphenyl)oxiran-2-yl]-trimethylsilane?
The InChIKey is WFYNTVDCXKSHGB-MSOLQXFVSA-N. The full InChI is InChI=1S/C18H27NO2Si/c1-13-8-10-14(11-9-13)18(22(5,6)7)17(4,21-18)15-19-16(2,3)12-20-15/h8-11H,12H2,1-7H3/t17-,18+/m1/s1.
What are the key properties of [(2S,3R)-3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methyl-2-(4-methylphenyl)oxiran-2-yl]-trimethylsilane?
[(2S,3R)-3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methyl-2-(4-methylphenyl)oxiran-2-yl]-trimethylsilane has a molecular weight of 317.51 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methyl-2-(4-methylphenyl)oxiran-2-yl]-trimethylsilane is sourced from PubChem (CID 15536655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).