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

C11H11NO4 — CID 51033265

IUPACmethyl (4S,5R)-2-oxo-4-phenyl-1,3-oxazolidine-5-carboxylate
SMILESCOC(=O)[C@@H]1OC(=O)N[C@H]1c1ccccc1
InChIInChI=1S/C11H11NO4/c1-15-10(13)9-8(12-11(14)16-9)7-5-3-2-4-6-7/h2-6,8-9H,1H3,(H,12,14)/t8-,9+/m0/s1
InChIKeyOFJHCOWGFPMLTB-DTWKUNHWSA-N
MW221.21 g/mol
LogP1.01
Rot. Bonds2

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

methyl (4S,5R)-2-oxo-4-phenyl-1,3-oxazolidine-5-carboxylate (PubChem CID 51033265) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is methyl (4S,5R)-2-oxo-4-phenyl-1,3-oxazolidine-5-carboxylate.

Molecular Properties

Compound Namemethyl (4S,5R)-2-oxo-4-phenyl-1,3-oxazolidine-5-carboxylate
PubChem CID51033265
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Namemethyl (4S,5R)-2-oxo-4-phenyl-1,3-oxazolidine-5-carboxylate
SMILESCOC(=O)[C@@H]1OC(=O)N[C@H]1c1ccccc1
InChIInChI=1S/C11H11NO4/c1-15-10(13)9-8(12-11(14)16-9)7-5-3-2-4-6-7/h2-6,8-9H,1H3,(H,12,14)/t8-,9+/m0/s1
InChIKeyOFJHCOWGFPMLTB-DTWKUNHWSA-N
XLogP1.01
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (4S,5R)-2-oxo-4-phenyl-1,3-oxazolidine-5-carboxylate?
The IUPAC name of methyl (4S,5R)-2-oxo-4-phenyl-1,3-oxazolidine-5-carboxylate (CID 51033265) is methyl (4S,5R)-2-oxo-4-phenyl-1,3-oxazolidine-5-carboxylate.
What is the SMILES notation for methyl (4S,5R)-2-oxo-4-phenyl-1,3-oxazolidine-5-carboxylate?
The canonical SMILES for methyl (4S,5R)-2-oxo-4-phenyl-1,3-oxazolidine-5-carboxylate is COC(=O)[C@@H]1OC(=O)N[C@H]1c1ccccc1.
What is the InChIKey of methyl (4S,5R)-2-oxo-4-phenyl-1,3-oxazolidine-5-carboxylate?
The InChIKey is OFJHCOWGFPMLTB-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H11NO4/c1-15-10(13)9-8(12-11(14)16-9)7-5-3-2-4-6-7/h2-6,8-9H,1H3,(H,12,14)/t8-,9+/m0/s1.
What are the key properties of methyl (4S,5R)-2-oxo-4-phenyl-1,3-oxazolidine-5-carboxylate?
methyl (4S,5R)-2-oxo-4-phenyl-1,3-oxazolidine-5-carboxylate has a molecular weight of 221.21 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S,5R)-2-oxo-4-phenyl-1,3-oxazolidine-5-carboxylate is sourced from PubChem (CID 51033265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).