methyl (2R,4R)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate

C23H23NO5 — CID 11234772

IUPACmethyl (2R,4R)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate
SMILESCOC(=O)C1=C[C@H](c2ccccc2)C[C@H](N2C(=O)OC[C@H]2Cc2ccccc2)O1
InChIInChI=1S/C23H23NO5/c1-27-22(25)20-13-18(17-10-6-3-7-11-17)14-21(29-20)24-19(15-28-23(24)26)12-16-8-4-2-5-9-16/h2-11,13,18-19,21H,12,14-15H2,1H3/t18-,19+,21+/m0/s1
InChIKeyFXCRODLXSDPLBJ-QKNQBKEWSA-N
MW393.44 g/mol
LogP3.64
Rot. Bonds5

About methyl (2R,4R)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate

methyl (2R,4R)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate (PubChem CID 11234772) has the molecular formula C23H23NO5 and a molecular weight of 393.44 g/mol. Its IUPAC name is methyl (2R,4R)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate.

Molecular Properties

Compound Namemethyl (2R,4R)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate
PubChem CID11234772
Molecular FormulaC23H23NO5
Molecular Weight393.44 g/mol
Exact Mass393.16
IUPAC Namemethyl (2R,4R)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate
SMILESCOC(=O)C1=C[C@H](c2ccccc2)C[C@H](N2C(=O)OC[C@H]2Cc2ccccc2)O1
InChIInChI=1S/C23H23NO5/c1-27-22(25)20-13-18(17-10-6-3-7-11-17)14-21(29-20)24-19(15-28-23(24)26)12-16-8-4-2-5-9-16/h2-11,13,18-19,21H,12,14-15H2,1H3/t18-,19+,21+/m0/s1
InChIKeyFXCRODLXSDPLBJ-QKNQBKEWSA-N
XLogP3.64
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl (2R,4R)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl (2R,4R)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate?
The IUPAC name of methyl (2R,4R)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate (CID 11234772) is methyl (2R,4R)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate.
What is the SMILES notation for methyl (2R,4R)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate?
The canonical SMILES for methyl (2R,4R)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate is COC(=O)C1=C[C@H](c2ccccc2)C[C@H](N2C(=O)OC[C@H]2Cc2ccccc2)O1.
What is the InChIKey of methyl (2R,4R)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate?
The InChIKey is FXCRODLXSDPLBJ-QKNQBKEWSA-N. The full InChI is InChI=1S/C23H23NO5/c1-27-22(25)20-13-18(17-10-6-3-7-11-17)14-21(29-20)24-19(15-28-23(24)26)12-16-8-4-2-5-9-16/h2-11,13,18-19,21H,12,14-15H2,1H3/t18-,19+,21+/m0/s1.
What are the key properties of methyl (2R,4R)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate?
methyl (2R,4R)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate has a molecular weight of 393.44 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,4R)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate is sourced from PubChem (CID 11234772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).