dimethyl (3S,4R,5S)-3-phenyl-1,2-oxazolidine-4,5-dicarboxylate

C13H15NO5 — CID 11277080

IUPACdimethyl (3S,4R,5S)-3-phenyl-1,2-oxazolidine-4,5-dicarboxylate
SMILESCOC(=O)[C@H]1[C@@H](C(=O)OC)ON[C@@H]1c1ccccc1
InChIInChI=1S/C13H15NO5/c1-17-12(15)9-10(8-6-4-3-5-7-8)14-19-11(9)13(16)18-2/h3-7,9-11,14H,1-2H3/t9-,10-,11+/m1/s1
InChIKeyWISLPTLIZHUNSH-MXWKQRLJSA-N
MW265.27 g/mol
LogP0.59
Rot. Bonds3

About dimethyl (3S,4R,5S)-3-phenyl-1,2-oxazolidine-4,5-dicarboxylate

dimethyl (3S,4R,5S)-3-phenyl-1,2-oxazolidine-4,5-dicarboxylate (PubChem CID 11277080) has the molecular formula C13H15NO5 and a molecular weight of 265.27 g/mol. Its IUPAC name is dimethyl (3S,4R,5S)-3-phenyl-1,2-oxazolidine-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl (3S,4R,5S)-3-phenyl-1,2-oxazolidine-4,5-dicarboxylate
PubChem CID11277080
Molecular FormulaC13H15NO5
Molecular Weight265.27 g/mol
Exact Mass265.10
IUPAC Namedimethyl (3S,4R,5S)-3-phenyl-1,2-oxazolidine-4,5-dicarboxylate
SMILESCOC(=O)[C@H]1[C@@H](C(=O)OC)ON[C@@H]1c1ccccc1
InChIInChI=1S/C13H15NO5/c1-17-12(15)9-10(8-6-4-3-5-7-8)14-19-11(9)13(16)18-2/h3-7,9-11,14H,1-2H3/t9-,10-,11+/m1/s1
InChIKeyWISLPTLIZHUNSH-MXWKQRLJSA-N
XLogP0.59
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[Amino-(3-fluorophenyl)methyl]-2-hydroxy-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 174473868
dimethyl (3S,4R)-3-(4-bromophenyl)-2-methyl-1,2-oxazolidine-4,5-dicarboxylate
CID 91030780
dimethyl (3S,4S,5R)-2-methyl-3-(4-methylphenyl)-1,2-oxazolidine-4,5-dicarboxylate
CID 91603229
ethyl (3S,4R)-5-hydroxy-5-methyl-3-phenyl-1,2-oxazolidine-4-carboxylate
CID 102031087
N-methoxy-3-phenyl-5-carbomethoxyisoxazolidine
CID 129806750
Dimethyl cis-2-methyl-3-p-tolylisoxazolidine-4,5-dicarboxylate
CID 139076309
(3R,4S,5R)-Dimethyl trans-3-(4-bromophenyl)-2-methylisoxazolidine-4,5-dicarboxylate
CID 139077190
Methyl 5-hydroxy-3-phenyl-1,2-oxazolidine-5-carboxylate
CID 139083678
Methyl 3-phenyl-1,2-oxazolidine-5-carboxylate
CID 11074579
methyl (3R,5R)-3-benzyl-5-methoxy-1,2-oxazolidine-5-carboxylate
CID 11543346
Methyl 5-methoxy-3-(4-methylphenyl)-1,2-oxazolidine-5-carboxylate
CID 59171176
(2S,3S)-3-[amino(phenyl)methyl]-2-hydroxy-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 69519716

Frequently Asked Questions

What is the IUPAC name of dimethyl (3S,4R,5S)-3-phenyl-1,2-oxazolidine-4,5-dicarboxylate?
The IUPAC name of dimethyl (3S,4R,5S)-3-phenyl-1,2-oxazolidine-4,5-dicarboxylate (CID 11277080) is dimethyl (3S,4R,5S)-3-phenyl-1,2-oxazolidine-4,5-dicarboxylate.
What is the SMILES notation for dimethyl (3S,4R,5S)-3-phenyl-1,2-oxazolidine-4,5-dicarboxylate?
The canonical SMILES for dimethyl (3S,4R,5S)-3-phenyl-1,2-oxazolidine-4,5-dicarboxylate is COC(=O)[C@H]1[C@@H](C(=O)OC)ON[C@@H]1c1ccccc1.
What is the InChIKey of dimethyl (3S,4R,5S)-3-phenyl-1,2-oxazolidine-4,5-dicarboxylate?
The InChIKey is WISLPTLIZHUNSH-MXWKQRLJSA-N. The full InChI is InChI=1S/C13H15NO5/c1-17-12(15)9-10(8-6-4-3-5-7-8)14-19-11(9)13(16)18-2/h3-7,9-11,14H,1-2H3/t9-,10-,11+/m1/s1.
What are the key properties of dimethyl (3S,4R,5S)-3-phenyl-1,2-oxazolidine-4,5-dicarboxylate?
dimethyl (3S,4R,5S)-3-phenyl-1,2-oxazolidine-4,5-dicarboxylate has a molecular weight of 265.27 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (3S,4R,5S)-3-phenyl-1,2-oxazolidine-4,5-dicarboxylate is sourced from PubChem (CID 11277080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).