benzyl (4S)-4-(2-diethoxyphosphanylethyl)-5-oxo-1,3-oxazolidine-3-carboxylate

C17H24NO6P — CID 67742203

IUPACbenzyl (4S)-4-(2-diethoxyphosphanylethyl)-5-oxo-1,3-oxazolidine-3-carboxylate
SMILESCCOP(CC[C@H]1C(=O)OCN1C(=O)OCc1ccccc1)OCC
InChIInChI=1S/C17H24NO6P/c1-3-23-25(24-4-2)11-10-15-16(19)22-13-18(15)17(20)21-12-14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3/t15-/m0/s1
InChIKeyWLOQHOUOTJNVJK-HNNXBMFYSA-N
MW369.35 g/mol
LogP3.28
Rot. Bonds9

About benzyl (4S)-4-(2-diethoxyphosphanylethyl)-5-oxo-1,3-oxazolidine-3-carboxylate

benzyl (4S)-4-(2-diethoxyphosphanylethyl)-5-oxo-1,3-oxazolidine-3-carboxylate (PubChem CID 67742203) has the molecular formula C17H24NO6P and a molecular weight of 369.35 g/mol. Its IUPAC name is benzyl (4S)-4-(2-diethoxyphosphanylethyl)-5-oxo-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Namebenzyl (4S)-4-(2-diethoxyphosphanylethyl)-5-oxo-1,3-oxazolidine-3-carboxylate
PubChem CID67742203
Molecular FormulaC17H24NO6P
Molecular Weight369.35 g/mol
Exact Mass369.13
IUPAC Namebenzyl (4S)-4-(2-diethoxyphosphanylethyl)-5-oxo-1,3-oxazolidine-3-carboxylate
SMILESCCOP(CC[C@H]1C(=O)OCN1C(=O)OCc1ccccc1)OCC
InChIInChI=1S/C17H24NO6P/c1-3-23-25(24-4-2)11-10-15-16(19)22-13-18(15)17(20)21-12-14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3/t15-/m0/s1
InChIKeyWLOQHOUOTJNVJK-HNNXBMFYSA-N
XLogP3.28
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

benzyl 4-(3,3-difluoropropyl)-5-oxo-1,3-oxazolidine-3-carboxylate
CID 174342570
benzyl 4-[2-[ethoxy(methyl)phosphoryl]ethyl]-5-oxo-1,3-oxazolidine-3-carboxylate
CID 14596285
benzyl 4-(3,3-dimethoxypropyl)-5-oxo-1,3-oxazolidine-3-carboxylate
CID 59168843
benzyl (4R)-5-oxo-4-(sulfanylmethyl)-1,3-oxazolidine-3-carboxylate
CID 101064250
benzyl (4S)-4-(bromomethyl)-5-oxo-1,3-oxazolidine-3-carboxylate
CID 67707384
5-[(4R)-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]pentanoic acid
CID 139786436
benzyl (4S)-4-[3-(dibenzylamino)-3-oxopropyl]-5-oxo-1,3-oxazolidine-3-carboxylate
CID 70149500
benzyl (4S)-4-(4,4-dimethoxybutyl)-5-oxo-1,3-oxazolidine-3-carboxylate
CID 10947705
benzyl 4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate
CID 3982420
benzyl (4S)-4-[5-(1,3-dioxolan-2-yl)-3-oxopentyl]-5-oxo-1,3-oxazolidine-3-carboxylate
CID 15669878
benzyl (4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-1,3-oxazolidine-3-carboxylate
CID 102150396
benzyl (4S)-4-(2-benzhydryloxy-2-oxoethyl)-5-oxo-1,3-oxazolidine-3-carboxylate
CID 101038526

Frequently Asked Questions

What is the IUPAC name of benzyl (4S)-4-(2-diethoxyphosphanylethyl)-5-oxo-1,3-oxazolidine-3-carboxylate?
The IUPAC name of benzyl (4S)-4-(2-diethoxyphosphanylethyl)-5-oxo-1,3-oxazolidine-3-carboxylate (CID 67742203) is benzyl (4S)-4-(2-diethoxyphosphanylethyl)-5-oxo-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for benzyl (4S)-4-(2-diethoxyphosphanylethyl)-5-oxo-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for benzyl (4S)-4-(2-diethoxyphosphanylethyl)-5-oxo-1,3-oxazolidine-3-carboxylate is CCOP(CC[C@H]1C(=O)OCN1C(=O)OCc1ccccc1)OCC.
What is the InChIKey of benzyl (4S)-4-(2-diethoxyphosphanylethyl)-5-oxo-1,3-oxazolidine-3-carboxylate?
The InChIKey is WLOQHOUOTJNVJK-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24NO6P/c1-3-23-25(24-4-2)11-10-15-16(19)22-13-18(15)17(20)21-12-14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3/t15-/m0/s1.
What are the key properties of benzyl (4S)-4-(2-diethoxyphosphanylethyl)-5-oxo-1,3-oxazolidine-3-carboxylate?
benzyl (4S)-4-(2-diethoxyphosphanylethyl)-5-oxo-1,3-oxazolidine-3-carboxylate has a molecular weight of 369.35 g/mol, XLogP of 3.28, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (4S)-4-(2-diethoxyphosphanylethyl)-5-oxo-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 67742203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).