[2-benzoyloxy-4-(3-methyl-1,3-oxazolidin-5-yl)phenyl] benzoate

C24H21NO5 — CID 72723939

IUPAC[2-benzoyloxy-4-(3-methyl-1,3-oxazolidin-5-yl)phenyl] benzoate
SMILESCN1COC(c2ccc(OC(=O)c3ccccc3)c(OC(=O)c3ccccc3)c2)C1
InChIInChI=1S/C24H21NO5/c1-25-15-22(28-16-25)19-12-13-20(29-23(26)17-8-4-2-5-9-17)21(14-19)30-24(27)18-10-6-3-7-11-18/h2-14,22H,15-16H2,1H3
InChIKeyOFYKHJBDKHTBCP-UHFFFAOYSA-N
MW403.43 g/mol
LogP4.09
Rot. Bonds5

About [2-benzoyloxy-4-(3-methyl-1,3-oxazolidin-5-yl)phenyl] benzoate

[2-benzoyloxy-4-(3-methyl-1,3-oxazolidin-5-yl)phenyl] benzoate (PubChem CID 72723939) has the molecular formula C24H21NO5 and a molecular weight of 403.43 g/mol. Its IUPAC name is [2-benzoyloxy-4-(3-methyl-1,3-oxazolidin-5-yl)phenyl] benzoate.

Molecular Properties

Compound Name[2-benzoyloxy-4-(3-methyl-1,3-oxazolidin-5-yl)phenyl] benzoate
PubChem CID72723939
Molecular FormulaC24H21NO5
Molecular Weight403.43 g/mol
Exact Mass403.14
IUPAC Name[2-benzoyloxy-4-(3-methyl-1,3-oxazolidin-5-yl)phenyl] benzoate
SMILESCN1COC(c2ccc(OC(=O)c3ccccc3)c(OC(=O)c3ccccc3)c2)C1
InChIInChI=1S/C24H21NO5/c1-25-15-22(28-16-25)19-12-13-20(29-23(26)17-8-4-2-5-9-17)21(14-19)30-24(27)18-10-6-3-7-11-18/h2-14,22H,15-16H2,1H3
InChIKeyOFYKHJBDKHTBCP-UHFFFAOYSA-N
XLogP4.09
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-benzoyloxy-4-(3-methyl-1,3-oxazolidin-5-yl)phenyl] benzoate?
The IUPAC name of [2-benzoyloxy-4-(3-methyl-1,3-oxazolidin-5-yl)phenyl] benzoate (CID 72723939) is [2-benzoyloxy-4-(3-methyl-1,3-oxazolidin-5-yl)phenyl] benzoate.
What is the SMILES notation for [2-benzoyloxy-4-(3-methyl-1,3-oxazolidin-5-yl)phenyl] benzoate?
The canonical SMILES for [2-benzoyloxy-4-(3-methyl-1,3-oxazolidin-5-yl)phenyl] benzoate is CN1COC(c2ccc(OC(=O)c3ccccc3)c(OC(=O)c3ccccc3)c2)C1.
What is the InChIKey of [2-benzoyloxy-4-(3-methyl-1,3-oxazolidin-5-yl)phenyl] benzoate?
The InChIKey is OFYKHJBDKHTBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO5/c1-25-15-22(28-16-25)19-12-13-20(29-23(26)17-8-4-2-5-9-17)21(14-19)30-24(27)18-10-6-3-7-11-18/h2-14,22H,15-16H2,1H3.
What are the key properties of [2-benzoyloxy-4-(3-methyl-1,3-oxazolidin-5-yl)phenyl] benzoate?
[2-benzoyloxy-4-(3-methyl-1,3-oxazolidin-5-yl)phenyl] benzoate has a molecular weight of 403.43 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-benzoyloxy-4-(3-methyl-1,3-oxazolidin-5-yl)phenyl] benzoate is sourced from PubChem (CID 72723939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).