tert-butyl (4R)-4-[(1R,2S)-3-azido-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-oxo-1,3-oxazolidine-3-carboxylate

C23H46N4O6Si2 — CID 11387017

IUPACtert-butyl (4R)-4-[(1R,2S)-3-azido-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-oxo-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)OC[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CN=[N+]=[N-])O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H46N4O6Si2/c1-21(2,3)31-20(29)27-16(15-30-19(27)28)18(33-35(12,13)23(7,8)9)17(14-25-26-24)32-34(10,11)22(4,5)6/h16-18H,14-15H2,1-13H3/t16-,17+,18-/m1/s1
InChIKeyOSTBKBZRMPDCKZ-FGTMMUONSA-N
MW530.82 g/mol
LogP6.83
Rot. Bonds8

About tert-butyl (4R)-4-[(1R,2S)-3-azido-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-oxo-1,3-oxazolidine-3-carboxylate

tert-butyl (4R)-4-[(1R,2S)-3-azido-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-oxo-1,3-oxazolidine-3-carboxylate (PubChem CID 11387017) has the molecular formula C23H46N4O6Si2 and a molecular weight of 530.82 g/mol. Its IUPAC name is tert-butyl (4R)-4-[(1R,2S)-3-azido-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-oxo-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-[(1R,2S)-3-azido-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-oxo-1,3-oxazolidine-3-carboxylate
PubChem CID11387017
Molecular FormulaC23H46N4O6Si2
Molecular Weight530.82 g/mol
Exact Mass530.30
IUPAC Nametert-butyl (4R)-4-[(1R,2S)-3-azido-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-oxo-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)OC[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CN=[N+]=[N-])O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H46N4O6Si2/c1-21(2,3)31-20(29)27-16(15-30-19(27)28)18(33-35(12,13)23(7,8)9)17(14-25-26-24)32-34(10,11)22(4,5)6/h16-18H,14-15H2,1-13H3/t16-,17+,18-/m1/s1
InChIKeyOSTBKBZRMPDCKZ-FGTMMUONSA-N
XLogP6.83
TPSA123.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.82
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze tert-butyl (4R)-4-[(1R,2S)-3-azido-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-oxo-1,3-oxazolidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-[(1R,2S)-3-azido-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-oxo-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R)-4-[(1R,2S)-3-azido-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-oxo-1,3-oxazolidine-3-carboxylate (CID 11387017) is tert-butyl (4R)-4-[(1R,2S)-3-azido-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-oxo-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-[(1R,2S)-3-azido-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-oxo-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-[(1R,2S)-3-azido-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-oxo-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1C(=O)OC[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CN=[N+]=[N-])O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (4R)-4-[(1R,2S)-3-azido-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-oxo-1,3-oxazolidine-3-carboxylate?
The InChIKey is OSTBKBZRMPDCKZ-FGTMMUONSA-N. The full InChI is InChI=1S/C23H46N4O6Si2/c1-21(2,3)31-20(29)27-16(15-30-19(27)28)18(33-35(12,13)23(7,8)9)17(14-25-26-24)32-34(10,11)22(4,5)6/h16-18H,14-15H2,1-13H3/t16-,17+,18-/m1/s1.
What are the key properties of tert-butyl (4R)-4-[(1R,2S)-3-azido-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-oxo-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R)-4-[(1R,2S)-3-azido-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-oxo-1,3-oxazolidine-3-carboxylate has a molecular weight of 530.82 g/mol, XLogP of 6.83, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-[(1R,2S)-3-azido-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-oxo-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 11387017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).