(4S)-3-[(2R)-3-phenylmethoxy-2-triethylsilyloxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C22H35NO5Si — CID 101069820

IUPAC(4S)-3-[(2R)-3-phenylmethoxy-2-triethylsilyloxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC[Si](CC)(CC)O[C@H](COCc1ccccc1)C(=O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C22H35NO5Si/c1-6-29(7-2,8-3)28-20(16-26-14-18-12-10-9-11-13-18)21(24)23-19(17(4)5)15-27-22(23)25/h9-13,17,19-20H,6-8,14-16H2,1-5H3/t19-,20-/m1/s1
InChIKeyMXHLVLDDPMYKBR-WOJBJXKFSA-N
MW421.61 g/mol
LogP4.60
Rot. Bonds11

About (4S)-3-[(2R)-3-phenylmethoxy-2-triethylsilyloxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[(2R)-3-phenylmethoxy-2-triethylsilyloxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 101069820) has the molecular formula C22H35NO5Si and a molecular weight of 421.61 g/mol. Its IUPAC name is (4S)-3-[(2R)-3-phenylmethoxy-2-triethylsilyloxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(2R)-3-phenylmethoxy-2-triethylsilyloxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID101069820
Molecular FormulaC22H35NO5Si
Molecular Weight421.61 g/mol
Exact Mass421.23
IUPAC Name(4S)-3-[(2R)-3-phenylmethoxy-2-triethylsilyloxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC[Si](CC)(CC)O[C@H](COCc1ccccc1)C(=O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C22H35NO5Si/c1-6-29(7-2,8-3)28-20(16-26-14-18-12-10-9-11-13-18)21(24)23-19(17(4)5)15-27-22(23)25/h9-13,17,19-20H,6-8,14-16H2,1-5H3/t19-,20-/m1/s1
InChIKeyMXHLVLDDPMYKBR-WOJBJXKFSA-N
XLogP4.60
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.61
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4S)-3-[(2R)-3-phenylmethoxy-2-triethylsilyloxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

(3R,4R)-3,4-bis(phenylmethoxy)-1-[(Z)-4-trimethylsilylbut-3-enyl]pyrrolidine-2,5-dione
CID 134872210
(S)-3-[2-(Benzyloxy)acetyl]-4-isopropyloxazolidin-2-one
CID 11065737
benzyl (2S,5R,6R)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3,7-dioxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylate
CID 11101847
(S)-3-Benzyl 5-methyl 2,2-dimethyloxazolidine-3,5-dicarboxylate
CID 15127540
benzyl (4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-1,3-oxazolidine-3-carboxylate
CID 15941022
(4S)-3-[(2R)-2-(phenylmethoxymethyl)pent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 58946055
Tert-butyl 4-phenylmethoxy-3-triethylsilyloxy-3-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 165176342
tert-butyl (4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-4-prop-2-enyl-1,3-oxazolidine-3-carboxylate
CID 11187572
benzyl (4R,5S)-4-acetyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 11335290
(4S)-3-[(2R)-4-methyl-2-[(2R,3R)-3-methyl-1,3-bis(phenylmethoxy)hept-6-en-2-yl]oxypent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11478575
tert-butyl (4R)-4-[(1R,2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-phenylmethoxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11953595
(4S)-3-[(2R)-2-methyl-3-phenylmethoxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 12892392

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(2R)-3-phenylmethoxy-2-triethylsilyloxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(2R)-3-phenylmethoxy-2-triethylsilyloxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 101069820) is (4S)-3-[(2R)-3-phenylmethoxy-2-triethylsilyloxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(2R)-3-phenylmethoxy-2-triethylsilyloxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(2R)-3-phenylmethoxy-2-triethylsilyloxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC[Si](CC)(CC)O[C@H](COCc1ccccc1)C(=O)N1C(=O)OC[C@@H]1C(C)C.
What is the InChIKey of (4S)-3-[(2R)-3-phenylmethoxy-2-triethylsilyloxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is MXHLVLDDPMYKBR-WOJBJXKFSA-N. The full InChI is InChI=1S/C22H35NO5Si/c1-6-29(7-2,8-3)28-20(16-26-14-18-12-10-9-11-13-18)21(24)23-19(17(4)5)15-27-22(23)25/h9-13,17,19-20H,6-8,14-16H2,1-5H3/t19-,20-/m1/s1.
What are the key properties of (4S)-3-[(2R)-3-phenylmethoxy-2-triethylsilyloxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(2R)-3-phenylmethoxy-2-triethylsilyloxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 421.61 g/mol, XLogP of 4.60, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(2R)-3-phenylmethoxy-2-triethylsilyloxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 101069820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).