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

C12H15NO3 — CID 135038428

IUPACmethyl 2-[(3S,4R)-4-phenyl-1,2-oxazolidin-3-yl]acetate
SMILESCOC(=O)C[C@@H]1NOC[C@@H]1c1ccccc1
InChIInChI=1S/C12H15NO3/c1-15-12(14)7-11-10(8-16-13-11)9-5-3-2-4-6-9/h2-6,10-11,13H,7-8H2,1H3/t10-,11+/m1/s1
InChIKeyRCZDQOPYFYZBGG-MNOVXSKESA-N
MW221.26 g/mol
LogP1.24
Rot. Bonds3

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

methyl 2-[(3S,4R)-4-phenyl-1,2-oxazolidin-3-yl]acetate (PubChem CID 135038428) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is methyl 2-[(3S,4R)-4-phenyl-1,2-oxazolidin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(3S,4R)-4-phenyl-1,2-oxazolidin-3-yl]acetate
PubChem CID135038428
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Namemethyl 2-[(3S,4R)-4-phenyl-1,2-oxazolidin-3-yl]acetate
SMILESCOC(=O)C[C@@H]1NOC[C@@H]1c1ccccc1
InChIInChI=1S/C12H15NO3/c1-15-12(14)7-11-10(8-16-13-11)9-5-3-2-4-6-9/h2-6,10-11,13H,7-8H2,1H3/t10-,11+/m1/s1
InChIKeyRCZDQOPYFYZBGG-MNOVXSKESA-N
XLogP1.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3S,4R)-4-phenyl-1,2-oxazolidin-3-yl]acetate?
The IUPAC name of methyl 2-[(3S,4R)-4-phenyl-1,2-oxazolidin-3-yl]acetate (CID 135038428) is methyl 2-[(3S,4R)-4-phenyl-1,2-oxazolidin-3-yl]acetate.
What is the SMILES notation for methyl 2-[(3S,4R)-4-phenyl-1,2-oxazolidin-3-yl]acetate?
The canonical SMILES for methyl 2-[(3S,4R)-4-phenyl-1,2-oxazolidin-3-yl]acetate is COC(=O)C[C@@H]1NOC[C@@H]1c1ccccc1.
What is the InChIKey of methyl 2-[(3S,4R)-4-phenyl-1,2-oxazolidin-3-yl]acetate?
The InChIKey is RCZDQOPYFYZBGG-MNOVXSKESA-N. The full InChI is InChI=1S/C12H15NO3/c1-15-12(14)7-11-10(8-16-13-11)9-5-3-2-4-6-9/h2-6,10-11,13H,7-8H2,1H3/t10-,11+/m1/s1.
What are the key properties of methyl 2-[(3S,4R)-4-phenyl-1,2-oxazolidin-3-yl]acetate?
methyl 2-[(3S,4R)-4-phenyl-1,2-oxazolidin-3-yl]acetate has a molecular weight of 221.26 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3S,4R)-4-phenyl-1,2-oxazolidin-3-yl]acetate is sourced from PubChem (CID 135038428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).