2-[3-[4-(2-trimethylsilylethoxymethoxymethyl)-1,3-thiazol-2-yl]-1,2-oxazol-5-yl]propan-2-ol

C16H26N2O4SSi — CID 131747589

IUPAC2-[3-[4-(2-trimethylsilylethoxymethoxymethyl)-1,3-thiazol-2-yl]-1,2-oxazol-5-yl]propan-2-ol
SMILESCC(C)(O)c1cc(-c2nc(COCOCC[Si](C)(C)C)cs2)no1
InChIInChI=1S/C16H26N2O4SSi/c1-16(2,19)14-8-13(18-22-14)15-17-12(10-23-15)9-21-11-20-6-7-24(3,4)5/h8,10,19H,6-7,9,11H2,1-5H3
InChIKeyYPZVATZSDDPWPH-UHFFFAOYSA-N
MW370.55 g/mol
LogP3.85
Rot. Bonds9

About 2-[3-[4-(2-trimethylsilylethoxymethoxymethyl)-1,3-thiazol-2-yl]-1,2-oxazol-5-yl]propan-2-ol

2-[3-[4-(2-trimethylsilylethoxymethoxymethyl)-1,3-thiazol-2-yl]-1,2-oxazol-5-yl]propan-2-ol (PubChem CID 131747589) has the molecular formula C16H26N2O4SSi and a molecular weight of 370.55 g/mol. Its IUPAC name is 2-[3-[4-(2-trimethylsilylethoxymethoxymethyl)-1,3-thiazol-2-yl]-1,2-oxazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[3-[4-(2-trimethylsilylethoxymethoxymethyl)-1,3-thiazol-2-yl]-1,2-oxazol-5-yl]propan-2-ol
PubChem CID131747589
Molecular FormulaC16H26N2O4SSi
Molecular Weight370.55 g/mol
Exact Mass370.14
IUPAC Name2-[3-[4-(2-trimethylsilylethoxymethoxymethyl)-1,3-thiazol-2-yl]-1,2-oxazol-5-yl]propan-2-ol
SMILESCC(C)(O)c1cc(-c2nc(COCOCC[Si](C)(C)C)cs2)no1
InChIInChI=1S/C16H26N2O4SSi/c1-16(2,19)14-8-13(18-22-14)15-17-12(10-23-15)9-21-11-20-6-7-24(3,4)5/h8,10,19H,6-7,9,11H2,1-5H3
InChIKeyYPZVATZSDDPWPH-UHFFFAOYSA-N
XLogP3.85
TPSA77.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.55
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(2-trimethylsilylethoxymethoxymethyl)-1,3-thiazol-2-yl]-1,2-oxazol-5-yl]propan-2-ol?
The IUPAC name of 2-[3-[4-(2-trimethylsilylethoxymethoxymethyl)-1,3-thiazol-2-yl]-1,2-oxazol-5-yl]propan-2-ol (CID 131747589) is 2-[3-[4-(2-trimethylsilylethoxymethoxymethyl)-1,3-thiazol-2-yl]-1,2-oxazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[3-[4-(2-trimethylsilylethoxymethoxymethyl)-1,3-thiazol-2-yl]-1,2-oxazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[3-[4-(2-trimethylsilylethoxymethoxymethyl)-1,3-thiazol-2-yl]-1,2-oxazol-5-yl]propan-2-ol is CC(C)(O)c1cc(-c2nc(COCOCC[Si](C)(C)C)cs2)no1.
What is the InChIKey of 2-[3-[4-(2-trimethylsilylethoxymethoxymethyl)-1,3-thiazol-2-yl]-1,2-oxazol-5-yl]propan-2-ol?
The InChIKey is YPZVATZSDDPWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4SSi/c1-16(2,19)14-8-13(18-22-14)15-17-12(10-23-15)9-21-11-20-6-7-24(3,4)5/h8,10,19H,6-7,9,11H2,1-5H3.
What are the key properties of 2-[3-[4-(2-trimethylsilylethoxymethoxymethyl)-1,3-thiazol-2-yl]-1,2-oxazol-5-yl]propan-2-ol?
2-[3-[4-(2-trimethylsilylethoxymethoxymethyl)-1,3-thiazol-2-yl]-1,2-oxazol-5-yl]propan-2-ol has a molecular weight of 370.55 g/mol, XLogP of 3.85, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(2-trimethylsilylethoxymethoxymethyl)-1,3-thiazol-2-yl]-1,2-oxazol-5-yl]propan-2-ol is sourced from PubChem (CID 131747589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).