methyl (3R,5R)-5-methoxy-3-phenyl-1,2-oxazolidine-5-carboxylate

C12H15NO4 — CID 121003145

IUPACmethyl (3R,5R)-5-methoxy-3-phenyl-1,2-oxazolidine-5-carboxylate
SMILESCOC(=O)[C@@]1(OC)C[C@H](c2ccccc2)NO1
InChIInChI=1S/C12H15NO4/c1-15-11(14)12(16-2)8-10(13-17-12)9-6-4-3-5-7-9/h3-7,10,13H,8H2,1-2H3/t10-,12-/m1/s1
InChIKeyOLQISFDBESASHZ-ZYHUDNBSSA-N
MW237.25 g/mol
LogP1.17
Rot. Bonds3

About methyl (3R,5R)-5-methoxy-3-phenyl-1,2-oxazolidine-5-carboxylate

methyl (3R,5R)-5-methoxy-3-phenyl-1,2-oxazolidine-5-carboxylate (PubChem CID 121003145) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is methyl (3R,5R)-5-methoxy-3-phenyl-1,2-oxazolidine-5-carboxylate.

Molecular Properties

Compound Namemethyl (3R,5R)-5-methoxy-3-phenyl-1,2-oxazolidine-5-carboxylate
PubChem CID121003145
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Namemethyl (3R,5R)-5-methoxy-3-phenyl-1,2-oxazolidine-5-carboxylate
SMILESCOC(=O)[C@@]1(OC)C[C@H](c2ccccc2)NO1
InChIInChI=1S/C12H15NO4/c1-15-11(14)12(16-2)8-10(13-17-12)9-6-4-3-5-7-9/h3-7,10,13H,8H2,1-2H3/t10-,12-/m1/s1
InChIKeyOLQISFDBESASHZ-ZYHUDNBSSA-N
XLogP1.17
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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methyl 5-methyl-2-phenyl-1,3-dioxane-5-carboxylate
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trimethyl (3S,5S)-5-phenylpyrrolidine-2,2,3-tricarboxylate
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dimethyl (2R,5R)-2-ethyl-5-phenyloxolane-3,3-dicarboxylate
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methyl (2S,4S)-2-methyl-4-phenylpyrrolidine-2-carboxylate
CID 86592479
methyl (2S,4S,5R)-4-(hydroxymethyl)-2-methyl-5-phenylpyrrolidine-2-carboxylate
CID 97109270
cis-dimethyl (2R,3S)-2-deuterio-3-phenylcyclopropane-1,1-dicarboxylate
CID 24752248
methyl (2S,4R)-2-(hydroxymethyl)-1-methoxy-5-oxo-4-phenylpyrrolidine-2-carboxylate
CID 11594323
cis-methyl (1S,2S)-2-phenyl-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxylate
CID 44557657
methyl (2S,4R)-2-hydroxy-4-phenyl-3,4-dihydrobenzo[h]chromene-2-carboxylate
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CID 165444368

Frequently Asked Questions

What is the IUPAC name of methyl (3R,5R)-5-methoxy-3-phenyl-1,2-oxazolidine-5-carboxylate?
The IUPAC name of methyl (3R,5R)-5-methoxy-3-phenyl-1,2-oxazolidine-5-carboxylate (CID 121003145) is methyl (3R,5R)-5-methoxy-3-phenyl-1,2-oxazolidine-5-carboxylate.
What is the SMILES notation for methyl (3R,5R)-5-methoxy-3-phenyl-1,2-oxazolidine-5-carboxylate?
The canonical SMILES for methyl (3R,5R)-5-methoxy-3-phenyl-1,2-oxazolidine-5-carboxylate is COC(=O)[C@@]1(OC)C[C@H](c2ccccc2)NO1.
What is the InChIKey of methyl (3R,5R)-5-methoxy-3-phenyl-1,2-oxazolidine-5-carboxylate?
The InChIKey is OLQISFDBESASHZ-ZYHUDNBSSA-N. The full InChI is InChI=1S/C12H15NO4/c1-15-11(14)12(16-2)8-10(13-17-12)9-6-4-3-5-7-9/h3-7,10,13H,8H2,1-2H3/t10-,12-/m1/s1.
What are the key properties of methyl (3R,5R)-5-methoxy-3-phenyl-1,2-oxazolidine-5-carboxylate?
methyl (3R,5R)-5-methoxy-3-phenyl-1,2-oxazolidine-5-carboxylate has a molecular weight of 237.25 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,5R)-5-methoxy-3-phenyl-1,2-oxazolidine-5-carboxylate is sourced from PubChem (CID 121003145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).