(4R,5R)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-propan-2-yl-1,3-oxazolidine-4-carbaldehyde

C21H35NO3Si — CID 134880468

IUPAC(4R,5R)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-propan-2-yl-1,3-oxazolidine-4-carbaldehyde
SMILESCC(C)[C@H]1OCN(Cc2ccccc2)[C@]1(C=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H35NO3Si/c1-17(2)19-21(14-23,15-25-26(6,7)20(3,4)5)22(16-24-19)13-18-11-9-8-10-12-18/h8-12,14,17,19H,13,15-16H2,1-7H3/t19-,21-/m1/s1
InChIKeyRCOAMXTVNRRPLZ-TZIWHRDSSA-N
MW377.60 g/mol
LogP4.46
Rot. Bonds7

About (4R,5R)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-propan-2-yl-1,3-oxazolidine-4-carbaldehyde

(4R,5R)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-propan-2-yl-1,3-oxazolidine-4-carbaldehyde (PubChem CID 134880468) has the molecular formula C21H35NO3Si and a molecular weight of 377.60 g/mol. Its IUPAC name is (4R,5R)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-propan-2-yl-1,3-oxazolidine-4-carbaldehyde.

Molecular Properties

Compound Name(4R,5R)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-propan-2-yl-1,3-oxazolidine-4-carbaldehyde
PubChem CID134880468
Molecular FormulaC21H35NO3Si
Molecular Weight377.60 g/mol
Exact Mass377.24
IUPAC Name(4R,5R)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-propan-2-yl-1,3-oxazolidine-4-carbaldehyde
SMILESCC(C)[C@H]1OCN(Cc2ccccc2)[C@]1(C=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H35NO3Si/c1-17(2)19-21(14-23,15-25-26(6,7)20(3,4)5)22(16-24-19)13-18-11-9-8-10-12-18/h8-12,14,17,19H,13,15-16H2,1-7H3/t19-,21-/m1/s1
InChIKeyRCOAMXTVNRRPLZ-TZIWHRDSSA-N
XLogP4.46
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.60
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,4R)-1-benzyl-2-formyl-4-(t-butyldimethylsilyloxy)pyrrolidine
CID 50922891
(4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carbaldehyde
CID 135030444
methyl (2S,3S,4S)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-2-carboxylate
CID 139216925
methyl (2R,3S,4S)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-2-carboxylate
CID 139216928
1-Benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carbaldehyde
CID 19971475
(2R,4S)-1-benzyl-2-formyl-4-(t-butyldimethylsilyloxy)pyrrolidine
CID 57174481
Methyl 2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxypentanoate
CID 174616671
(4R)-3-benzyl-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4-methyl-1,3-oxazolidine-2,5-dione
CID 10862109
(4S)-3-benzyl-4-[(1R)-1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]-1,3-oxazolidine-2,5-dione
CID 10951212
(4R,5S)-3-N-Benzyl-4-(t-butyldimethylsilyloxymethyl)-5-isopropyloxazoladine-4-carboxylic Acid, Methyl Ester
CID 10982413
(4R,5S)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-propan-2-yl-1,3-oxazolidine-4-carbaldehyde
CID 11100912
methyl (2S,3S)-2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
CID 11236610

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-propan-2-yl-1,3-oxazolidine-4-carbaldehyde?
The IUPAC name of (4R,5R)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-propan-2-yl-1,3-oxazolidine-4-carbaldehyde (CID 134880468) is (4R,5R)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-propan-2-yl-1,3-oxazolidine-4-carbaldehyde.
What is the SMILES notation for (4R,5R)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-propan-2-yl-1,3-oxazolidine-4-carbaldehyde?
The canonical SMILES for (4R,5R)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-propan-2-yl-1,3-oxazolidine-4-carbaldehyde is CC(C)[C@H]1OCN(Cc2ccccc2)[C@]1(C=O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R,5R)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-propan-2-yl-1,3-oxazolidine-4-carbaldehyde?
The InChIKey is RCOAMXTVNRRPLZ-TZIWHRDSSA-N. The full InChI is InChI=1S/C21H35NO3Si/c1-17(2)19-21(14-23,15-25-26(6,7)20(3,4)5)22(16-24-19)13-18-11-9-8-10-12-18/h8-12,14,17,19H,13,15-16H2,1-7H3/t19-,21-/m1/s1.
What are the key properties of (4R,5R)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-propan-2-yl-1,3-oxazolidine-4-carbaldehyde?
(4R,5R)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-propan-2-yl-1,3-oxazolidine-4-carbaldehyde has a molecular weight of 377.60 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-propan-2-yl-1,3-oxazolidine-4-carbaldehyde is sourced from PubChem (CID 134880468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).