methyl 2-[(4S,5R)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]acetate

C12H13NO4 — CID 11791154

IUPACmethyl 2-[(4S,5R)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]acetate
SMILESCOC(=O)C[C@@H]1NC(=O)O[C@@H]1c1ccccc1
InChIInChI=1S/C12H13NO4/c1-16-10(14)7-9-11(17-12(15)13-9)8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3,(H,13,15)/t9-,11+/m0/s1
InChIKeyCWALJBZQGFTBBD-GXSJLCMTSA-N
MW235.24 g/mol
LogP1.40
Rot. Bonds3

About methyl 2-[(4S,5R)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]acetate

methyl 2-[(4S,5R)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]acetate (PubChem CID 11791154) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is methyl 2-[(4S,5R)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(4S,5R)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]acetate
PubChem CID11791154
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Namemethyl 2-[(4S,5R)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]acetate
SMILESCOC(=O)C[C@@H]1NC(=O)O[C@@H]1c1ccccc1
InChIInChI=1S/C12H13NO4/c1-16-10(14)7-9-11(17-12(15)13-9)8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3,(H,13,15)/t9-,11+/m0/s1
InChIKeyCWALJBZQGFTBBD-GXSJLCMTSA-N
XLogP1.40
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4S,5R)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]acetate?
The IUPAC name of methyl 2-[(4S,5R)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]acetate (CID 11791154) is methyl 2-[(4S,5R)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]acetate.
What is the SMILES notation for methyl 2-[(4S,5R)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]acetate?
The canonical SMILES for methyl 2-[(4S,5R)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]acetate is COC(=O)C[C@@H]1NC(=O)O[C@@H]1c1ccccc1.
What is the InChIKey of methyl 2-[(4S,5R)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]acetate?
The InChIKey is CWALJBZQGFTBBD-GXSJLCMTSA-N. The full InChI is InChI=1S/C12H13NO4/c1-16-10(14)7-9-11(17-12(15)13-9)8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3,(H,13,15)/t9-,11+/m0/s1.
What are the key properties of methyl 2-[(4S,5R)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]acetate?
methyl 2-[(4S,5R)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]acetate has a molecular weight of 235.24 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4S,5R)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]acetate is sourced from PubChem (CID 11791154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).