methyl 5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-4-methyl-1,3-oxazole-2-carboxylate

C13H23NO4Si — CID 173112912

IUPACmethyl 5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-4-methyl-1,3-oxazole-2-carboxylate
SMILESCOC(=O)c1nc(C)c(C(O[SiH](C)C)C(C)(C)C)o1
InChIInChI=1S/C13H23NO4Si/c1-8-9(17-11(14-8)12(15)16-5)10(13(2,3)4)18-19(6)7/h10,19H,1-7H3
InChIKeyQROFVGSRGPCEAV-UHFFFAOYSA-N
MW285.42 g/mol
LogP2.86
Rot. Bonds4

About methyl 5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-4-methyl-1,3-oxazole-2-carboxylate

methyl 5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-4-methyl-1,3-oxazole-2-carboxylate (PubChem CID 173112912) has the molecular formula C13H23NO4Si and a molecular weight of 285.42 g/mol. Its IUPAC name is methyl 5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-4-methyl-1,3-oxazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-4-methyl-1,3-oxazole-2-carboxylate
PubChem CID173112912
Molecular FormulaC13H23NO4Si
Molecular Weight285.42 g/mol
Exact Mass285.14
IUPAC Namemethyl 5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-4-methyl-1,3-oxazole-2-carboxylate
SMILESCOC(=O)c1nc(C)c(C(O[SiH](C)C)C(C)(C)C)o1
InChIInChI=1S/C13H23NO4Si/c1-8-9(17-11(14-8)12(15)16-5)10(13(2,3)4)18-19(6)7/h10,19H,1-7H3
InChIKeyQROFVGSRGPCEAV-UHFFFAOYSA-N
XLogP2.86
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-carbamoyl-4-methyl-1,3-oxazole-2-carboxylate
CID 68802843
dimethyl 1,3,4-oxadiazole-2,5-dicarboxylate
CID 14088399
N-[3,5-bis(1-dimethylsilyloxy-2,2-dimethylpropyl)phenyl]acetamide
CID 175220794
[1-(2,5-dimethylfuran-3-yl)-2,2-dimethylpropoxy]-dimethylsilane
CID 123880326
methyl 7-sulfanyl-1,3-benzoxazole-2-carboxylate
CID 130950941
methyl 6-(3,3-dimethylbutan-2-ylamino)-2-methylpyridine-3-carboxylate
CID 113457844
1-[5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-1H-imidazol-2-yl]ethanone
CID 173491713
dimethyl 3,6-dimethylpyridazine-4,5-dicarboxylate
CID 10878792
methyl 5-propan-2-yl-1,3,4-oxadiazole-2-carboxylate
CID 112618977
methyl 4-amino-1,3-oxazole-2-carboxylate
CID 146160567
methyl 4-(1-aminoethyl)-1,3-oxazole-2-carboxylate
CID 115013695
benzyl 4,5-dimethyl-1,3-oxazole-2-carboxylate
CID 134511513

Frequently Asked Questions

What is the IUPAC name of methyl 5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-4-methyl-1,3-oxazole-2-carboxylate?
The IUPAC name of methyl 5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-4-methyl-1,3-oxazole-2-carboxylate (CID 173112912) is methyl 5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-4-methyl-1,3-oxazole-2-carboxylate.
What is the SMILES notation for methyl 5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-4-methyl-1,3-oxazole-2-carboxylate?
The canonical SMILES for methyl 5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-4-methyl-1,3-oxazole-2-carboxylate is COC(=O)c1nc(C)c(C(O[SiH](C)C)C(C)(C)C)o1.
What is the InChIKey of methyl 5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-4-methyl-1,3-oxazole-2-carboxylate?
The InChIKey is QROFVGSRGPCEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4Si/c1-8-9(17-11(14-8)12(15)16-5)10(13(2,3)4)18-19(6)7/h10,19H,1-7H3.
What are the key properties of methyl 5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-4-methyl-1,3-oxazole-2-carboxylate?
methyl 5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-4-methyl-1,3-oxazole-2-carboxylate has a molecular weight of 285.42 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-4-methyl-1,3-oxazole-2-carboxylate is sourced from PubChem (CID 173112912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).