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

C16H23BrFNO2Si — CID 58653820

IUPAC[3-(4-bromo-2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC1CC(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/h6-8,12H,9-10H2,1-5H3
InChIKeyZREXMIPJDQBMFR-UHFFFAOYSA-N
MW388.35 g/mol
LogP5.10
Rot. Bonds4

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

[3-(4-bromo-2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 58653820) has the molecular formula C16H23BrFNO2Si and a molecular weight of 388.35 g/mol. Its IUPAC name is [3-(4-bromo-2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[3-(4-bromo-2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID58653820
Molecular FormulaC16H23BrFNO2Si
Molecular Weight388.35 g/mol
Exact Mass387.07
IUPAC Name[3-(4-bromo-2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC1CC(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/h6-8,12H,9-10H2,1-5H3
InChIKeyZREXMIPJDQBMFR-UHFFFAOYSA-N
XLogP5.10
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.35
LogP ≤ 55.10
H-Bond Donors ≤ 50
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)-5-({[tert-butyl(dimethyl)silyl]oxy}methyl)-4,5-dihydroisoxazole
CID 17954496
[3-(4-Bromo-3-fluoro-phenyl)-4,5-dihydro-isoxazol-5-yl]-methanol
CID 17954502
3-(4-Bromo-3-fluorophenyl)-5,5-bis({[tert-butyl(dimethyl)silyl]oxy}methyl)-4,5-dihydroisoxazole
CID 58653775
3-(4-Bromo-2-fluorophenyl)-4,5-dihydro-5-isoxazolemethanol
CID 58653821
5-({[Tert-butyl(dimethyl)silyl]oxy}methyl)-3-[2-fluoro-4-(trimethylstannyl)phenyl]-4,5-dihydroisoxazole
CID 58653824
Methanesulfonic acid 3-(4-bromo-3-fluoro-phenyl)-4,5-dihydro-isoxazol-5-ylmethyl ester
CID 59749462
5-({[Tert-butyl(dimethyl)silyl]oxy}methyl)-3-[3-fluoro-4-(trimethylstannyl)phenyl]-4,5-dihydroisoxazole
CID 59749488
[3-(4-Bromo-3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl methanesulfinate
CID 142219286
2-[[3-(4-bromophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-yl]oxymethoxy]ethyl-trimethylsilane
CID 155744104
[3-(4-bromophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-yl]oxy-trimethylsilane
CID 155744113
[(5R)-3-(4-bromo-3,5-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 163283121
3-(4-Bromo-3-fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole
CID 174467415

Frequently Asked Questions

What is the IUPAC name of [3-(4-bromo-2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [3-(4-bromo-2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane (CID 58653820) is [3-(4-bromo-2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [3-(4-bromo-2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [3-(4-bromo-2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCC1CC(c2ccc(Br)cc2F)=NO1.
What is the InChIKey of [3-(4-bromo-2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is ZREXMIPJDQBMFR-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/h6-8,12H,9-10H2,1-5H3.
What are the key properties of [3-(4-bromo-2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane?
[3-(4-bromo-2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 388.35 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-bromo-2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 58653820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).