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

C16H24BrNO2Si — CID 90897162

IUPAC[3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC1C=C(c2ccc(Br)cc2)NO1
InChIInChI=1S/C16H24BrNO2Si/c1-16(2,3)21(4,5)19-11-14-10-15(18-20-14)12-6-8-13(17)9-7-12/h6-10,14,18H,11H2,1-5H3
InChIKeyPVEQVEBGJLFCOW-UHFFFAOYSA-N
MW370.36 g/mol
LogP4.72
Rot. Bonds4

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

[3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 90897162) has the molecular formula C16H24BrNO2Si and a molecular weight of 370.36 g/mol. Its IUPAC name is [3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID90897162
Molecular FormulaC16H24BrNO2Si
Molecular Weight370.36 g/mol
Exact Mass369.08
IUPAC Name[3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC1C=C(c2ccc(Br)cc2)NO1
InChIInChI=1S/C16H24BrNO2Si/c1-16(2,3)21(4,5)19-11-14-10-15(18-20-14)12-6-8-13(17)9-7-12/h6-10,14,18H,11H2,1-5H3
InChIKeyPVEQVEBGJLFCOW-UHFFFAOYSA-N
XLogP4.72
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 54.72
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)-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-Bromo-2-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane
CID 91286505
[3-(4-Bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 56982022
[3-(4-Bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl methanesulfonate
CID 57159829
[(5R)-3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 57282287
3-(4-Bromophenyl)-2,5-dihydro-1,2-oxazole
CID 90891793
[(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
2-bromo-3-(4-bromophenyl)-5-methyl-5H-1,2-oxazole
CID 173153004

Frequently Asked Questions

What is the IUPAC name of [3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane (CID 90897162) is [3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCC1C=C(c2ccc(Br)cc2)NO1.
What is the InChIKey of [3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is PVEQVEBGJLFCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2Si/c1-16(2,3)21(4,5)19-11-14-10-15(18-20-14)12-6-8-13(17)9-7-12/h6-10,14,18H,11H2,1-5H3.
What are the key properties of [3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane?
[3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 370.36 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 90897162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).