(2R)-2-[(5S)-3-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol

C16H33NO3Si — CID 102399477

IUPAC(2R)-2-[(5S)-3-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol
SMILESC[C@H](CO)[C@@H]1CC(C(C)(C)CO[Si](C)(C)C(C)(C)C)=NO1
InChIInChI=1S/C16H33NO3Si/c1-12(10-18)13-9-14(17-20-13)16(5,6)11-19-21(7,8)15(2,3)4/h12-13,18H,9-11H2,1-8H3/t12-,13+/m1/s1
InChIKeyQIKIKFYIEIAIRE-OLZOCXBDSA-N
MW315.53 g/mol
LogP3.81
Rot. Bonds6

About (2R)-2-[(5S)-3-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol

(2R)-2-[(5S)-3-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol (PubChem CID 102399477) has the molecular formula C16H33NO3Si and a molecular weight of 315.53 g/mol. Its IUPAC name is (2R)-2-[(5S)-3-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(5S)-3-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol
PubChem CID102399477
Molecular FormulaC16H33NO3Si
Molecular Weight315.53 g/mol
Exact Mass315.22
IUPAC Name(2R)-2-[(5S)-3-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol
SMILESC[C@H](CO)[C@@H]1CC(C(C)(C)CO[Si](C)(C)C(C)(C)C)=NO1
InChIInChI=1S/C16H33NO3Si/c1-12(10-18)13-9-14(17-20-13)16(5,6)11-19-21(7,8)15(2,3)4/h12-13,18H,9-11H2,1-8H3/t12-,13+/m1/s1
InChIKeyQIKIKFYIEIAIRE-OLZOCXBDSA-N
XLogP3.81
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.53
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-(2,2-difluoropropoxy)-dimethylsilane
CID 123170783
3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropane-1,1-diol
CID 123722416
(3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylpentan-1-ol
CID 10467808
(3R,4R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhexane-1,2,4-triol
CID 10755088
(E,2R,5S)-7-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylhept-3-en-1-ol
CID 135045339
5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-1-ol
CID 14758907
tert-butyl-dimethyl-[2-[5-(2-methylpropyl)-4,5-dihydro-1,2-oxazol-3-yl]ethoxy]silane
CID 45103244
[(2S,3R)-3-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxiran-2-yl]methanol
CID 56946449
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
1-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-3-yn-2-ol
CID 11095976
(2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropan-1-ol
CID 101238862
cis-(3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)cyclopentan-1-one
CID 10753716

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5S)-3-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol?
The IUPAC name of (2R)-2-[(5S)-3-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol (CID 102399477) is (2R)-2-[(5S)-3-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol.
What is the SMILES notation for (2R)-2-[(5S)-3-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol?
The canonical SMILES for (2R)-2-[(5S)-3-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol is C[C@H](CO)[C@@H]1CC(C(C)(C)CO[Si](C)(C)C(C)(C)C)=NO1.
What is the InChIKey of (2R)-2-[(5S)-3-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol?
The InChIKey is QIKIKFYIEIAIRE-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H33NO3Si/c1-12(10-18)13-9-14(17-20-13)16(5,6)11-19-21(7,8)15(2,3)4/h12-13,18H,9-11H2,1-8H3/t12-,13+/m1/s1.
What are the key properties of (2R)-2-[(5S)-3-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol?
(2R)-2-[(5S)-3-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol has a molecular weight of 315.53 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5S)-3-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol is sourced from PubChem (CID 102399477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).