methyl (2S,4S)-2-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate

C28H25NO5 — CID 11166967

IUPACmethyl (2S,4S)-2-[(4S,5R)-2-oxo-4,5-diphenyl-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)O[C@H](c3ccccc3)[C@@H]2c2ccccc2)O1
InChIInChI=1S/C28H25NO5/c1-32-27(30)23-17-22(19-11-5-2-6-12-19)18-24(33-23)29-25(20-13-7-3-8-14-20)26(34-28(29)31)21-15-9-4-10-16-21/h2-17,22,24-26H,18H2,1H3/t22-,24+,25+,26-/m1/s1
InChIKeyXRASWXOZNUKDFA-HMNRDNJPSA-N
MW455.51 g/mol
LogP5.51
Rot. Bonds5

About methyl (2S,4S)-2-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate

methyl (2S,4S)-2-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate (PubChem CID 11166967) has the molecular formula C28H25NO5 and a molecular weight of 455.51 g/mol. Its IUPAC name is methyl (2S,4S)-2-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4S)-2-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate
PubChem CID11166967
Molecular FormulaC28H25NO5
Molecular Weight455.51 g/mol
Exact Mass455.17
IUPAC Namemethyl (2S,4S)-2-[(4S,5R)-2-oxo-4,5-diphenyl-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)O[C@H](c3ccccc3)[C@@H]2c2ccccc2)O1
InChIInChI=1S/C28H25NO5/c1-32-27(30)23-17-22(19-11-5-2-6-12-19)18-24(33-23)29-25(20-13-7-3-8-14-20)26(34-28(29)31)21-15-9-4-10-16-21/h2-17,22,24-26H,18H2,1H3/t22-,24+,25+,26-/m1/s1
InChIKeyXRASWXOZNUKDFA-HMNRDNJPSA-N
XLogP5.51
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.51
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl (2S,4S)-2-[(4S,5R)-2-oxo-4,5-diphenyl-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 (2S,4S)-2-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate?
The IUPAC name of methyl (2S,4S)-2-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate (CID 11166967) is methyl (2S,4S)-2-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate.
What is the SMILES notation for methyl (2S,4S)-2-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate?
The canonical SMILES for methyl (2S,4S)-2-[(4S,5R)-2-oxo-4,5-diphenyl-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)O[C@H](c3ccccc3)[C@@H]2c2ccccc2)O1.
What is the InChIKey of methyl (2S,4S)-2-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate?
The InChIKey is XRASWXOZNUKDFA-HMNRDNJPSA-N. The full InChI is InChI=1S/C28H25NO5/c1-32-27(30)23-17-22(19-11-5-2-6-12-19)18-24(33-23)29-25(20-13-7-3-8-14-20)26(34-28(29)31)21-15-9-4-10-16-21/h2-17,22,24-26H,18H2,1H3/t22-,24+,25+,26-/m1/s1.
What are the key properties of methyl (2S,4S)-2-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate?
methyl (2S,4S)-2-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate has a molecular weight of 455.51 g/mol, XLogP of 5.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4S)-2-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate is sourced from PubChem (CID 11166967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).