ethyl (2R,3S,4S,5R)-3-ethyl-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2,5-diphenyloxolane-2-carboxylate

C28H33NO6 — CID 135067782

IUPACethyl (2R,3S,4S,5R)-3-ethyl-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2,5-diphenyloxolane-2-carboxylate
SMILESCCOC(=O)[C@@]1(c2ccccc2)O[C@@H](c2ccccc2)[C@@H](C(=O)N2C(=O)OC[C@@H]2C(C)C)[C@@H]1CC
InChIInChI=1S/C28H33NO6/c1-5-21-23(25(30)29-22(18(3)4)17-34-27(29)32)24(19-13-9-7-10-14-19)35-28(21,26(31)33-6-2)20-15-11-8-12-16-20/h7-16,18,21-24H,5-6,17H2,1-4H3/t21-,22+,23-,24-,28-/m0/s1
InChIKeyJIMQZCQLSMNADM-DFGFYBKUSA-N
MW479.57 g/mol
LogP4.86
Rot. Bonds7

About ethyl (2R,3S,4S,5R)-3-ethyl-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2,5-diphenyloxolane-2-carboxylate

ethyl (2R,3S,4S,5R)-3-ethyl-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2,5-diphenyloxolane-2-carboxylate (PubChem CID 135067782) has the molecular formula C28H33NO6 and a molecular weight of 479.57 g/mol. Its IUPAC name is ethyl (2R,3S,4S,5R)-3-ethyl-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2,5-diphenyloxolane-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R,3S,4S,5R)-3-ethyl-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2,5-diphenyloxolane-2-carboxylate
PubChem CID135067782
Molecular FormulaC28H33NO6
Molecular Weight479.57 g/mol
Exact Mass479.23
IUPAC Nameethyl (2R,3S,4S,5R)-3-ethyl-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2,5-diphenyloxolane-2-carboxylate
SMILESCCOC(=O)[C@@]1(c2ccccc2)O[C@@H](c2ccccc2)[C@@H](C(=O)N2C(=O)OC[C@@H]2C(C)C)[C@@H]1CC
InChIInChI=1S/C28H33NO6/c1-5-21-23(25(30)29-22(18(3)4)17-34-27(29)32)24(19-13-9-7-10-14-19)35-28(21,26(31)33-6-2)20-15-11-8-12-16-20/h7-16,18,21-24H,5-6,17H2,1-4H3/t21-,22+,23-,24-,28-/m0/s1
InChIKeyJIMQZCQLSMNADM-DFGFYBKUSA-N
XLogP4.86
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.57
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl (2R,3S,4S,5R)-3-ethyl-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2,5-diphenyloxolane-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3S,4S,5R)-3-ethyl-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2,5-diphenyloxolane-2-carboxylate?
The IUPAC name of ethyl (2R,3S,4S,5R)-3-ethyl-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2,5-diphenyloxolane-2-carboxylate (CID 135067782) is ethyl (2R,3S,4S,5R)-3-ethyl-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2,5-diphenyloxolane-2-carboxylate.
What is the SMILES notation for ethyl (2R,3S,4S,5R)-3-ethyl-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2,5-diphenyloxolane-2-carboxylate?
The canonical SMILES for ethyl (2R,3S,4S,5R)-3-ethyl-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2,5-diphenyloxolane-2-carboxylate is CCOC(=O)[C@@]1(c2ccccc2)O[C@@H](c2ccccc2)[C@@H](C(=O)N2C(=O)OC[C@@H]2C(C)C)[C@@H]1CC.
What is the InChIKey of ethyl (2R,3S,4S,5R)-3-ethyl-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2,5-diphenyloxolane-2-carboxylate?
The InChIKey is JIMQZCQLSMNADM-DFGFYBKUSA-N. The full InChI is InChI=1S/C28H33NO6/c1-5-21-23(25(30)29-22(18(3)4)17-34-27(29)32)24(19-13-9-7-10-14-19)35-28(21,26(31)33-6-2)20-15-11-8-12-16-20/h7-16,18,21-24H,5-6,17H2,1-4H3/t21-,22+,23-,24-,28-/m0/s1.
What are the key properties of ethyl (2R,3S,4S,5R)-3-ethyl-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2,5-diphenyloxolane-2-carboxylate?
ethyl (2R,3S,4S,5R)-3-ethyl-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2,5-diphenyloxolane-2-carboxylate has a molecular weight of 479.57 g/mol, XLogP of 4.86, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3S,4S,5R)-3-ethyl-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2,5-diphenyloxolane-2-carboxylate is sourced from PubChem (CID 135067782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).