ethyl (4R,5S)-3-diethoxyphosphoryl-2-methyl-5-phenyl-1,3-oxazolidine-4-carboxylate

C17H26NO6P — CID 101429412

IUPACethyl (4R,5S)-3-diethoxyphosphoryl-2-methyl-5-phenyl-1,3-oxazolidine-4-carboxylate
SMILESCCOC(=O)[C@H]1[C@H](c2ccccc2)OC(C)N1P(=O)(OCC)OCC
InChIInChI=1S/C17H26NO6P/c1-5-21-17(19)15-16(14-11-9-8-10-12-14)24-13(4)18(15)25(20,22-6-2)23-7-3/h8-13,15-16H,5-7H2,1-4H3/t13?,15-,16+/m1/s1
InChIKeyLVWFUMGMEYDVRX-CZVYVAOFSA-N
MW371.37 g/mol
LogP3.52
Rot. Bonds8

About ethyl (4R,5S)-3-diethoxyphosphoryl-2-methyl-5-phenyl-1,3-oxazolidine-4-carboxylate

ethyl (4R,5S)-3-diethoxyphosphoryl-2-methyl-5-phenyl-1,3-oxazolidine-4-carboxylate (PubChem CID 101429412) has the molecular formula C17H26NO6P and a molecular weight of 371.37 g/mol. Its IUPAC name is ethyl (4R,5S)-3-diethoxyphosphoryl-2-methyl-5-phenyl-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Nameethyl (4R,5S)-3-diethoxyphosphoryl-2-methyl-5-phenyl-1,3-oxazolidine-4-carboxylate
PubChem CID101429412
Molecular FormulaC17H26NO6P
Molecular Weight371.37 g/mol
Exact Mass371.15
IUPAC Nameethyl (4R,5S)-3-diethoxyphosphoryl-2-methyl-5-phenyl-1,3-oxazolidine-4-carboxylate
SMILESCCOC(=O)[C@H]1[C@H](c2ccccc2)OC(C)N1P(=O)(OCC)OCC
InChIInChI=1S/C17H26NO6P/c1-5-21-17(19)15-16(14-11-9-8-10-12-14)24-13(4)18(15)25(20,22-6-2)23-7-3/h8-13,15-16H,5-7H2,1-4H3/t13?,15-,16+/m1/s1
InChIKeyLVWFUMGMEYDVRX-CZVYVAOFSA-N
XLogP3.52
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 53.52
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

ethyl 3-benzhydryl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate
CID 18474979
ethyl (2R,3S)-1-benzyl-3-phenylaziridine-2-carboxylate
CID 12064962
diethyl (1R,2S,3R,4S)-3,4-diphenylcyclobutane-1,2-dicarboxylate
CID 15261796
ethyl (4R,5S)-2-oxo-5-phenyl-1,3-dioxolane-4-carboxylate
CID 124672191
ethyl (2S,3S)-1-[(S)-tert-butylsulfinyl]-3-phenylaziridine-2-carboxylate
CID 53495328
ethyl (2R,3S,5R)-3-hydroxy-5-phenyloxolane-2-carboxylate
CID 10513963
ethyl (2R,3R)-1-(4-chlorophenyl)-3-phenylaziridine-2-carboxylate
CID 11808800
ethyl 2-phenylcyclopropane-1-carboxylate;2-phenylcyclopropane-1-carboxylic acid
CID 70636165
ethyl 5-oxo-5-[(2S,3R)-3-phenyloxiran-2-yl]pentanoate
CID 15835903
ethyl (2R,3S)-5-oxo-2-phenyloxolane-3-carboxylate
CID 14399422
ethyl (1S,2R,3R,6R)-3-diethoxyphosphoryl-2-hydroxy-6-phenylcyclohexane-1-carboxylate
CID 102285624
ethyl (1S,2S,3R,6R)-3-diethoxyphosphoryl-2-hydroxy-6-phenylcyclohexane-1-carboxylate
CID 102285618

Frequently Asked Questions

What is the IUPAC name of ethyl (4R,5S)-3-diethoxyphosphoryl-2-methyl-5-phenyl-1,3-oxazolidine-4-carboxylate?
The IUPAC name of ethyl (4R,5S)-3-diethoxyphosphoryl-2-methyl-5-phenyl-1,3-oxazolidine-4-carboxylate (CID 101429412) is ethyl (4R,5S)-3-diethoxyphosphoryl-2-methyl-5-phenyl-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for ethyl (4R,5S)-3-diethoxyphosphoryl-2-methyl-5-phenyl-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for ethyl (4R,5S)-3-diethoxyphosphoryl-2-methyl-5-phenyl-1,3-oxazolidine-4-carboxylate is CCOC(=O)[C@H]1[C@H](c2ccccc2)OC(C)N1P(=O)(OCC)OCC.
What is the InChIKey of ethyl (4R,5S)-3-diethoxyphosphoryl-2-methyl-5-phenyl-1,3-oxazolidine-4-carboxylate?
The InChIKey is LVWFUMGMEYDVRX-CZVYVAOFSA-N. The full InChI is InChI=1S/C17H26NO6P/c1-5-21-17(19)15-16(14-11-9-8-10-12-14)24-13(4)18(15)25(20,22-6-2)23-7-3/h8-13,15-16H,5-7H2,1-4H3/t13?,15-,16+/m1/s1.
What are the key properties of ethyl (4R,5S)-3-diethoxyphosphoryl-2-methyl-5-phenyl-1,3-oxazolidine-4-carboxylate?
ethyl (4R,5S)-3-diethoxyphosphoryl-2-methyl-5-phenyl-1,3-oxazolidine-4-carboxylate has a molecular weight of 371.37 g/mol, XLogP of 3.52, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R,5S)-3-diethoxyphosphoryl-2-methyl-5-phenyl-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 101429412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).