(2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxo-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]butanenitrile

C18H32N2O4Si — CID 135070535

IUPAC(2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxo-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]butanenitrile
SMILESCC(C)[C@H]1COC(=O)N1C(=O)C[C@H](C#N)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32N2O4Si/c1-13(2)15-12-23-17(22)20(15)16(21)10-14(11-19)8-9-24-25(6,7)18(3,4)5/h13-15H,8-10,12H2,1-7H3/t14-,15-/m1/s1
InChIKeyKTCNRLDTNDZRLD-HUUCEWRRSA-N
MW368.55 g/mol
LogP3.93
Rot. Bonds7

About (2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxo-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]butanenitrile

(2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxo-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]butanenitrile (PubChem CID 135070535) has the molecular formula C18H32N2O4Si and a molecular weight of 368.55 g/mol. Its IUPAC name is (2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxo-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]butanenitrile.

Molecular Properties

Compound Name(2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxo-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]butanenitrile
PubChem CID135070535
Molecular FormulaC18H32N2O4Si
Molecular Weight368.55 g/mol
Exact Mass368.21
IUPAC Name(2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxo-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]butanenitrile
SMILESCC(C)[C@H]1COC(=O)N1C(=O)C[C@H](C#N)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32N2O4Si/c1-13(2)15-12-23-17(22)20(15)16(21)10-14(11-19)8-9-24-25(6,7)18(3,4)5/h13-15H,8-10,12H2,1-7H3/t14-,15-/m1/s1
InChIKeyKTCNRLDTNDZRLD-HUUCEWRRSA-N
XLogP3.93
TPSA79.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.55
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4R)-3-[5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 164675286
tert-butyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-oxopyrrolidine-1-carboxylate
CID 15546068
tert-butyl (3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2-oxopyrrolidine-1-carboxylate
CID 57951802
tert-butyl (3S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2-oxopyrrolidine-1-carboxylate
CID 57951857
tert-butyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-deuterio-5-oxo-4-(trideuterio(112C)methyl)pyrrolidine-1-carboxylate
CID 58618338
Tert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-oxopyrrolidine-1-carboxylate
CID 73198001
tert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-oxopyrrolidine-1-carboxylate
CID 102205729
tert-butyl (2S,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-deuterio-5-oxo-4-(trideuteriomethyl)pyrrolidine-1-carboxylate
CID 140491603
tert-butyl (3S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2-oxopyrrolidine-1-carboxylate
CID 162117462
tert-butyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-oxopyrrolidine-1-carboxylate
CID 173818432
tert-butyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyl-5-oxopyrrolidine-1-carboxylate
CID 177991882
tert-butyl (3S,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dideuterio-3-(113C)methyl-2-oxopyrrolidine-1-carboxylate
CID 10947989

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxo-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]butanenitrile?
The IUPAC name of (2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxo-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]butanenitrile (CID 135070535) is (2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxo-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]butanenitrile.
What is the SMILES notation for (2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxo-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]butanenitrile?
The canonical SMILES for (2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxo-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]butanenitrile is CC(C)[C@H]1COC(=O)N1C(=O)C[C@H](C#N)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxo-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]butanenitrile?
The InChIKey is KTCNRLDTNDZRLD-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H32N2O4Si/c1-13(2)15-12-23-17(22)20(15)16(21)10-14(11-19)8-9-24-25(6,7)18(3,4)5/h13-15H,8-10,12H2,1-7H3/t14-,15-/m1/s1.
What are the key properties of (2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxo-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]butanenitrile?
(2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxo-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]butanenitrile has a molecular weight of 368.55 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxo-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]butanenitrile is sourced from PubChem (CID 135070535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).