3-[2-[(2S,4R,6R)-6-(phenylmethoxymethyl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetyl]-1,3-oxazolidin-2-one

C27H43NO6Si — CID 57343299

IUPAC3-[2-[(2S,4R,6R)-6-(phenylmethoxymethyl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetyl]-1,3-oxazolidin-2-one
SMILESCC(C)[Si](O[C@@H]1C[C@@H](CC(=O)N2CCOC2=O)O[C@@H](COCc2ccccc2)C1)(C(C)C)C(C)C
InChIInChI=1S/C27H43NO6Si/c1-19(2)35(20(3)4,21(5)6)34-24-14-23(16-26(29)28-12-13-32-27(28)30)33-25(15-24)18-31-17-22-10-8-7-9-11-22/h7-11,19-21,23-25H,12-18H2,1-6H3/t23-,24+,25+/m0/s1
InChIKeyJLFYDXMKODVPED-ISJGIBHGSA-N
MW505.73 g/mol
LogP5.68
Rot. Bonds11

About 3-[2-[(2S,4R,6R)-6-(phenylmethoxymethyl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetyl]-1,3-oxazolidin-2-one

3-[2-[(2S,4R,6R)-6-(phenylmethoxymethyl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetyl]-1,3-oxazolidin-2-one (PubChem CID 57343299) has the molecular formula C27H43NO6Si and a molecular weight of 505.73 g/mol. Its IUPAC name is 3-[2-[(2S,4R,6R)-6-(phenylmethoxymethyl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[(2S,4R,6R)-6-(phenylmethoxymethyl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetyl]-1,3-oxazolidin-2-one
PubChem CID57343299
Molecular FormulaC27H43NO6Si
Molecular Weight505.73 g/mol
Exact Mass505.29
IUPAC Name3-[2-[(2S,4R,6R)-6-(phenylmethoxymethyl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetyl]-1,3-oxazolidin-2-one
SMILESCC(C)[Si](O[C@@H]1C[C@@H](CC(=O)N2CCOC2=O)O[C@@H](COCc2ccccc2)C1)(C(C)C)C(C)C
InChIInChI=1S/C27H43NO6Si/c1-19(2)35(20(3)4,21(5)6)34-24-14-23(16-26(29)28-12-13-32-27(28)30)33-25(15-24)18-31-17-22-10-8-7-9-11-22/h7-11,19-21,23-25H,12-18H2,1-6H3/t23-,24+,25+/m0/s1
InChIKeyJLFYDXMKODVPED-ISJGIBHGSA-N
XLogP5.68
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.73
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[2-[(2S,4R,6R)-6-(phenylmethoxymethyl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetyl]-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(2S,6R)-2-[[(2R,4S,6R)-6-(2-methyl-1,3-oxazol-4-yl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]methyl]-6-(phenylmethoxymethyl)oxan-4-one
CID 51051466
3-(2-methyl-4-phenylmethoxybutanoyl)-1,3-oxazolidin-2-one
CID 137468469
2-[(2R,4S,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]-1-(2,5-dimethylpyrrol-1-yl)ethanone
CID 57343459
3-[(3R,4S)-2-benzyl-3-(phenylmethoxymethyl)-1,2-oxazolidine-4-carbonyl]-1,3-oxazolidin-2-one
CID 11223206
methyl 2-[5-(phenylmethoxymethyl)oxolan-2-yl]acetate
CID 72501445
3-[(1S,2S)-4-[bis[tert-butyl(dimethyl)silyl]methyl]-2-(phenylmethoxymethyl)cyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one
CID 132500460
tert-butyl-diphenyl-[[(2R,4S)-4-(phenylmethoxymethyl)oxetan-2-yl]methyl]silane
CID 102506117
3-methyl-5-(phenylmethoxymethyl)oxolane-2-carboxamide
CID 91431609
2-phenylmethoxy-4-tri(propan-2-yl)silyloxycyclopentan-1-ol
CID 169088344
(5S)-5-(phenylmethoxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one
CID 13339835
(6S)-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-ol
CID 146358765
(4R,6S)-2-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxane
CID 71106611

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2S,4R,6R)-6-(phenylmethoxymethyl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[(2S,4R,6R)-6-(phenylmethoxymethyl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetyl]-1,3-oxazolidin-2-one (CID 57343299) is 3-[2-[(2S,4R,6R)-6-(phenylmethoxymethyl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[(2S,4R,6R)-6-(phenylmethoxymethyl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[(2S,4R,6R)-6-(phenylmethoxymethyl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetyl]-1,3-oxazolidin-2-one is CC(C)[Si](O[C@@H]1C[C@@H](CC(=O)N2CCOC2=O)O[C@@H](COCc2ccccc2)C1)(C(C)C)C(C)C.
What is the InChIKey of 3-[2-[(2S,4R,6R)-6-(phenylmethoxymethyl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetyl]-1,3-oxazolidin-2-one?
The InChIKey is JLFYDXMKODVPED-ISJGIBHGSA-N. The full InChI is InChI=1S/C27H43NO6Si/c1-19(2)35(20(3)4,21(5)6)34-24-14-23(16-26(29)28-12-13-32-27(28)30)33-25(15-24)18-31-17-22-10-8-7-9-11-22/h7-11,19-21,23-25H,12-18H2,1-6H3/t23-,24+,25+/m0/s1.
What are the key properties of 3-[2-[(2S,4R,6R)-6-(phenylmethoxymethyl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetyl]-1,3-oxazolidin-2-one?
3-[2-[(2S,4R,6R)-6-(phenylmethoxymethyl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetyl]-1,3-oxazolidin-2-one has a molecular weight of 505.73 g/mol, XLogP of 5.68, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2S,4R,6R)-6-(phenylmethoxymethyl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 57343299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).