methyl 4-[(S)-benzoyloxy-[(4R)-2-oxo-1,3-oxazolidin-4-yl]methyl]benzoate

C19H17NO6 — CID 135065470

IUPACmethyl 4-[(S)-benzoyloxy-[(4R)-2-oxo-1,3-oxazolidin-4-yl]methyl]benzoate
SMILESCOC(=O)c1ccc([C@H](OC(=O)c2ccccc2)[C@H]2COC(=O)N2)cc1
InChIInChI=1S/C19H17NO6/c1-24-17(21)14-9-7-12(8-10-14)16(15-11-25-19(23)20-15)26-18(22)13-5-3-2-4-6-13/h2-10,15-16H,11H2,1H3,(H,20,23)/t15-,16+/m1/s1
InChIKeyHVQTYRPRTSZVKY-CVEARBPZSA-N
MW355.35 g/mol
LogP2.48
Rot. Bonds5

About methyl 4-[(S)-benzoyloxy-[(4R)-2-oxo-1,3-oxazolidin-4-yl]methyl]benzoate

methyl 4-[(S)-benzoyloxy-[(4R)-2-oxo-1,3-oxazolidin-4-yl]methyl]benzoate (PubChem CID 135065470) has the molecular formula C19H17NO6 and a molecular weight of 355.35 g/mol. Its IUPAC name is methyl 4-[(S)-benzoyloxy-[(4R)-2-oxo-1,3-oxazolidin-4-yl]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(S)-benzoyloxy-[(4R)-2-oxo-1,3-oxazolidin-4-yl]methyl]benzoate
PubChem CID135065470
Molecular FormulaC19H17NO6
Molecular Weight355.35 g/mol
Exact Mass355.11
IUPAC Namemethyl 4-[(S)-benzoyloxy-[(4R)-2-oxo-1,3-oxazolidin-4-yl]methyl]benzoate
SMILESCOC(=O)c1ccc([C@H](OC(=O)c2ccccc2)[C@H]2COC(=O)N2)cc1
InChIInChI=1S/C19H17NO6/c1-24-17(21)14-9-7-12(8-10-14)16(15-11-25-19(23)20-15)26-18(22)13-5-3-2-4-6-13/h2-10,15-16H,11H2,1H3,(H,20,23)/t15-,16+/m1/s1
InChIKeyHVQTYRPRTSZVKY-CVEARBPZSA-N
XLogP2.48
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(S)-benzoyloxy-[(4R)-2-oxo-1,3-oxazolidin-4-yl]methyl]benzoate?
The IUPAC name of methyl 4-[(S)-benzoyloxy-[(4R)-2-oxo-1,3-oxazolidin-4-yl]methyl]benzoate (CID 135065470) is methyl 4-[(S)-benzoyloxy-[(4R)-2-oxo-1,3-oxazolidin-4-yl]methyl]benzoate.
What is the SMILES notation for methyl 4-[(S)-benzoyloxy-[(4R)-2-oxo-1,3-oxazolidin-4-yl]methyl]benzoate?
The canonical SMILES for methyl 4-[(S)-benzoyloxy-[(4R)-2-oxo-1,3-oxazolidin-4-yl]methyl]benzoate is COC(=O)c1ccc([C@H](OC(=O)c2ccccc2)[C@H]2COC(=O)N2)cc1.
What is the InChIKey of methyl 4-[(S)-benzoyloxy-[(4R)-2-oxo-1,3-oxazolidin-4-yl]methyl]benzoate?
The InChIKey is HVQTYRPRTSZVKY-CVEARBPZSA-N. The full InChI is InChI=1S/C19H17NO6/c1-24-17(21)14-9-7-12(8-10-14)16(15-11-25-19(23)20-15)26-18(22)13-5-3-2-4-6-13/h2-10,15-16H,11H2,1H3,(H,20,23)/t15-,16+/m1/s1.
What are the key properties of methyl 4-[(S)-benzoyloxy-[(4R)-2-oxo-1,3-oxazolidin-4-yl]methyl]benzoate?
methyl 4-[(S)-benzoyloxy-[(4R)-2-oxo-1,3-oxazolidin-4-yl]methyl]benzoate has a molecular weight of 355.35 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(S)-benzoyloxy-[(4R)-2-oxo-1,3-oxazolidin-4-yl]methyl]benzoate is sourced from PubChem (CID 135065470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).