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

C16H23BrFNO2Si — CID 91286505

IUPAC[3-(4-bromo-2-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC1C=C(c2ccc(Br)cc2F)NO1
InChIInChI=1S/C16H23BrFNO2Si/c1-16(2,3)22(4,5)20-10-12-9-15(19-21-12)13-7-6-11(17)8-14(13)18/h6-9,12,19H,10H2,1-5H3
InChIKeyATXIYLDNBOPRRE-UHFFFAOYSA-N
MW388.35 g/mol
LogP4.85
Rot. Bonds4

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

[3-(4-bromo-2-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 91286505) has the molecular formula C16H23BrFNO2Si and a molecular weight of 388.35 g/mol. Its IUPAC name is [3-(4-bromo-2-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[3-(4-bromo-2-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID91286505
Molecular FormulaC16H23BrFNO2Si
Molecular Weight388.35 g/mol
Exact Mass387.07
IUPAC Name[3-(4-bromo-2-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC1C=C(c2ccc(Br)cc2F)NO1
InChIInChI=1S/C16H23BrFNO2Si/c1-16(2,3)22(4,5)20-10-12-9-15(19-21-12)13-7-6-11(17)8-14(13)18/h6-9,12,19H,10H2,1-5H3
InChIKeyATXIYLDNBOPRRE-UHFFFAOYSA-N
XLogP4.85
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-(4-Bromo-3-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 91127610
[3-(4-Bromo-2-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 91216467
[3-(4-bromo-3-fluorophenyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2H-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane
CID 91235179
[3-(4-Bromo-3-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane
CID 91278612
[3-(4-Bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane
CID 90897162
[(5S)-3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane
CID 91282075
[3-(4-Bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl ditert-butyl phosphate
CID 91424418
[(5R)-3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane
CID 91511790
[3-(4-bromophenyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2H-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane
CID 91552271

Frequently Asked Questions

What is the IUPAC name of [3-(4-bromo-2-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [3-(4-bromo-2-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane (CID 91286505) is [3-(4-bromo-2-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [3-(4-bromo-2-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [3-(4-bromo-2-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCC1C=C(c2ccc(Br)cc2F)NO1.
What is the InChIKey of [3-(4-bromo-2-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is ATXIYLDNBOPRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrFNO2Si/c1-16(2,3)22(4,5)20-10-12-9-15(19-21-12)13-7-6-11(17)8-14(13)18/h6-9,12,19H,10H2,1-5H3.
What are the key properties of [3-(4-bromo-2-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane?
[3-(4-bromo-2-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 388.35 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-bromo-2-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 91286505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).