tert-butyl-[[3-[4-[4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydro-1,2-oxazol-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2,5-dihydro-1,2-oxazol-5-yl]methoxy]-dimethylsilane

C32H46F2N2O4Si2 — CID 91368769

IUPACtert-butyl-[[3-[4-[4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydro-1,2-oxazol-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2,5-dihydro-1,2-oxazol-5-yl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC1C=C(c2ccc(-c3ccc(C4=CC(CO[Si](C)(C)C(C)(C)C)ON4)cc3F)c(F)c2)NO1
InChIInChI=1S/C32H46F2N2O4Si2/c1-31(2,3)41(7,8)37-19-23-17-29(35-39-23)21-11-13-25(27(33)15-21)26-14-12-22(16-28(26)34)30-18-24(40-36-30)20-38-42(9,10)32(4,5)6/h11-18,23-24,35-36H,19-20H2,1-10H3
InChIKeyVMXKKSVNBDFBJL-UHFFFAOYSA-N
MW616.90 g/mol
LogP8.16
Rot. Bonds9

About tert-butyl-[[3-[4-[4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydro-1,2-oxazol-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2,5-dihydro-1,2-oxazol-5-yl]methoxy]-dimethylsilane

tert-butyl-[[3-[4-[4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydro-1,2-oxazol-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2,5-dihydro-1,2-oxazol-5-yl]methoxy]-dimethylsilane (PubChem CID 91368769) has the molecular formula C32H46F2N2O4Si2 and a molecular weight of 616.90 g/mol. Its IUPAC name is tert-butyl-[[3-[4-[4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydro-1,2-oxazol-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2,5-dihydro-1,2-oxazol-5-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[3-[4-[4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydro-1,2-oxazol-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2,5-dihydro-1,2-oxazol-5-yl]methoxy]-dimethylsilane
PubChem CID91368769
Molecular FormulaC32H46F2N2O4Si2
Molecular Weight616.90 g/mol
Exact Mass616.30
IUPAC Nametert-butyl-[[3-[4-[4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydro-1,2-oxazol-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2,5-dihydro-1,2-oxazol-5-yl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC1C=C(c2ccc(-c3ccc(C4=CC(CO[Si](C)(C)C(C)(C)C)ON4)cc3F)c(F)c2)NO1
InChIInChI=1S/C32H46F2N2O4Si2/c1-31(2,3)41(7,8)37-19-23-17-29(35-39-23)21-11-13-25(27(33)15-21)26-14-12-22(16-28(26)34)30-18-24(40-36-30)20-38-42(9,10)32(4,5)6/h11-18,23-24,35-36H,19-20H2,1-10H3
InChIKeyVMXKKSVNBDFBJL-UHFFFAOYSA-N
XLogP8.16
TPSA60.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.90
LogP ≤ 58.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl-[[3-[4-[4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydro-1,2-oxazol-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2,5-dihydro-1,2-oxazol-5-yl]methoxy]-dimethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[3-[4-[4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydro-1,2-oxazol-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2,5-dihydro-1,2-oxazol-5-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[3-[4-[4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydro-1,2-oxazol-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2,5-dihydro-1,2-oxazol-5-yl]methoxy]-dimethylsilane (CID 91368769) is tert-butyl-[[3-[4-[4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydro-1,2-oxazol-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2,5-dihydro-1,2-oxazol-5-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[3-[4-[4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydro-1,2-oxazol-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2,5-dihydro-1,2-oxazol-5-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[3-[4-[4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydro-1,2-oxazol-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2,5-dihydro-1,2-oxazol-5-yl]methoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCC1C=C(c2ccc(-c3ccc(C4=CC(CO[Si](C)(C)C(C)(C)C)ON4)cc3F)c(F)c2)NO1.
What is the InChIKey of tert-butyl-[[3-[4-[4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydro-1,2-oxazol-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2,5-dihydro-1,2-oxazol-5-yl]methoxy]-dimethylsilane?
The InChIKey is VMXKKSVNBDFBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46F2N2O4Si2/c1-31(2,3)41(7,8)37-19-23-17-29(35-39-23)21-11-13-25(27(33)15-21)26-14-12-22(16-28(26)34)30-18-24(40-36-30)20-38-42(9,10)32(4,5)6/h11-18,23-24,35-36H,19-20H2,1-10H3.
What are the key properties of tert-butyl-[[3-[4-[4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydro-1,2-oxazol-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2,5-dihydro-1,2-oxazol-5-yl]methoxy]-dimethylsilane?
tert-butyl-[[3-[4-[4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydro-1,2-oxazol-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2,5-dihydro-1,2-oxazol-5-yl]methoxy]-dimethylsilane has a molecular weight of 616.90 g/mol, XLogP of 8.16, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[3-[4-[4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydro-1,2-oxazol-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2,5-dihydro-1,2-oxazol-5-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 91368769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).