methyl (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazole-5-carboxylate

C19H29NO5Si — CID 146018756

IUPACmethyl (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
SMILESCOC(=O)[C@@H]1ON=C(COCc2ccccc2)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H29NO5Si/c1-19(2,3)26(5,6)25-16-15(20-24-17(16)18(21)22-4)13-23-12-14-10-8-7-9-11-14/h7-11,16-17H,12-13H2,1-6H3/t16-,17-/m1/s1
InChIKeyDEPHWULVNPPTBV-IAGOWNOFSA-N
MW379.53 g/mol
LogP3.52
Rot. Bonds7

About methyl (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazole-5-carboxylate

methyl (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazole-5-carboxylate (PubChem CID 146018756) has the molecular formula C19H29NO5Si and a molecular weight of 379.53 g/mol. Its IUPAC name is methyl (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
PubChem CID146018756
Molecular FormulaC19H29NO5Si
Molecular Weight379.53 g/mol
Exact Mass379.18
IUPAC Namemethyl (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
SMILESCOC(=O)[C@@H]1ON=C(COCc2ccccc2)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H29NO5Si/c1-19(2,3)26(5,6)25-16-15(20-24-17(16)18(21)22-4)13-23-12-14-10-8-7-9-11-14/h7-11,16-17H,12-13H2,1-6H3/t16-,17-/m1/s1
InChIKeyDEPHWULVNPPTBV-IAGOWNOFSA-N
XLogP3.52
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazole-5-carboxylate?
The IUPAC name of methyl (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazole-5-carboxylate (CID 146018756) is methyl (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazole-5-carboxylate.
What is the SMILES notation for methyl (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazole-5-carboxylate?
The canonical SMILES for methyl (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazole-5-carboxylate is COC(=O)[C@@H]1ON=C(COCc2ccccc2)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazole-5-carboxylate?
The InChIKey is DEPHWULVNPPTBV-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H29NO5Si/c1-19(2,3)26(5,6)25-16-15(20-24-17(16)18(21)22-4)13-23-12-14-10-8-7-9-11-14/h7-11,16-17H,12-13H2,1-6H3/t16-,17-/m1/s1.
What are the key properties of methyl (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazole-5-carboxylate?
methyl (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazole-5-carboxylate has a molecular weight of 379.53 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 146018756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).