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

C16H24BrNO2Si — CID 59749522

IUPAC[(5R)-3-(4-bromophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1CC(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/h6-9,14H,10-11H2,1-5H3/t14-/m1/s1
InChIKeyGCMBEAKNNVXFAY-CQSZACIVSA-N
MW370.36 g/mol
LogP4.96
Rot. Bonds4

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

[(5R)-3-(4-bromophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 59749522) has the molecular formula C16H24BrNO2Si and a molecular weight of 370.36 g/mol. Its IUPAC name is [(5R)-3-(4-bromophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(5R)-3-(4-bromophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID59749522
Molecular FormulaC16H24BrNO2Si
Molecular Weight370.36 g/mol
Exact Mass369.08
IUPAC Name[(5R)-3-(4-bromophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1CC(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/h6-9,14H,10-11H2,1-5H3/t14-/m1/s1
InChIKeyGCMBEAKNNVXFAY-CQSZACIVSA-N
XLogP4.96
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 54.96
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-fluorophenyl)-5,5-bis({[tert-butyl(dimethyl)silyl]oxy}methyl)-4,5-dihydroisoxazole
CID 58653775
[3-(4-Bromo-2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane
CID 58653820
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
3-(4-Bromo-3-fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole
CID 174467415
5-(Bromomethyl)-3-(4-bromophenyl)-4,5-dihydroisoxazole
CID 102568571
3-(4-bromophenyl)-4,4,5-trimethyl-5H-1,2-oxazole
CID 164671063
[(4S,6R)-4-bromo-3-(4-fluorophenyl)-5,6-dihydro-4H-oxazin-6-yl]methyl-trimethylsilane
CID 11035315
[(4R,6S)-4-bromo-3-(4-fluorophenyl)-5,6-dihydro-4H-oxazin-6-yl]methyl-trimethylsilane
CID 102377626
3-(4-Bromophenyl)-5-(iodomethyl)-4,5-dihydro-1,2-oxazole
CID 86077835
[(5R)-3-(4-bromophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 11010570

Frequently Asked Questions

What is the IUPAC name of [(5R)-3-(4-bromophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(5R)-3-(4-bromophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane (CID 59749522) is [(5R)-3-(4-bromophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(5R)-3-(4-bromophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(5R)-3-(4-bromophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC[C@H]1CC(c2ccc(Br)cc2)=NO1.
What is the InChIKey of [(5R)-3-(4-bromophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is GCMBEAKNNVXFAY-CQSZACIVSA-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/h6-9,14H,10-11H2,1-5H3/t14-/m1/s1.
What are the key properties of [(5R)-3-(4-bromophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane?
[(5R)-3-(4-bromophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 370.36 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-3-(4-bromophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 59749522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).