[3-[5-(4-formylphenyl)thiophen-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl morpholine-4-carboxylate

C20H20N2O6S — CID 10112593

IUPAC[3-[5-(4-formylphenyl)thiophen-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl morpholine-4-carboxylate
SMILESO=Cc1ccc(-c2ccc(N3CC(COC(=O)N4CCOCC4)OC3=O)s2)cc1
InChIInChI=1S/C20H20N2O6S/c23-12-14-1-3-15(4-2-14)17-5-6-18(29-17)22-11-16(28-20(22)25)13-27-19(24)21-7-9-26-10-8-21/h1-6,12,16H,7-11,13H2
InChIKeyQHFHOSLSEHOAGZ-UHFFFAOYSA-N
MW416.46 g/mol
LogP3.02
Rot. Bonds5

About [3-[5-(4-formylphenyl)thiophen-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl morpholine-4-carboxylate

[3-[5-(4-formylphenyl)thiophen-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl morpholine-4-carboxylate (PubChem CID 10112593) has the molecular formula C20H20N2O6S and a molecular weight of 416.46 g/mol. Its IUPAC name is [3-[5-(4-formylphenyl)thiophen-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl morpholine-4-carboxylate.

Molecular Properties

Compound Name[3-[5-(4-formylphenyl)thiophen-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl morpholine-4-carboxylate
PubChem CID10112593
Molecular FormulaC20H20N2O6S
Molecular Weight416.46 g/mol
Exact Mass416.10
IUPAC Name[3-[5-(4-formylphenyl)thiophen-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl morpholine-4-carboxylate
SMILESO=Cc1ccc(-c2ccc(N3CC(COC(=O)N4CCOCC4)OC3=O)s2)cc1
InChIInChI=1S/C20H20N2O6S/c23-12-14-1-3-15(4-2-14)17-5-6-18(29-17)22-11-16(28-20(22)25)13-27-19(24)21-7-9-26-10-8-21/h1-6,12,16H,7-11,13H2
InChIKeyQHFHOSLSEHOAGZ-UHFFFAOYSA-N
XLogP3.02
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-[5-(4-formylphenyl)thiophen-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl morpholine-4-carboxylate?
The IUPAC name of [3-[5-(4-formylphenyl)thiophen-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl morpholine-4-carboxylate (CID 10112593) is [3-[5-(4-formylphenyl)thiophen-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl morpholine-4-carboxylate.
What is the SMILES notation for [3-[5-(4-formylphenyl)thiophen-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl morpholine-4-carboxylate?
The canonical SMILES for [3-[5-(4-formylphenyl)thiophen-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl morpholine-4-carboxylate is O=Cc1ccc(-c2ccc(N3CC(COC(=O)N4CCOCC4)OC3=O)s2)cc1.
What is the InChIKey of [3-[5-(4-formylphenyl)thiophen-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl morpholine-4-carboxylate?
The InChIKey is QHFHOSLSEHOAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O6S/c23-12-14-1-3-15(4-2-14)17-5-6-18(29-17)22-11-16(28-20(22)25)13-27-19(24)21-7-9-26-10-8-21/h1-6,12,16H,7-11,13H2.
What are the key properties of [3-[5-(4-formylphenyl)thiophen-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl morpholine-4-carboxylate?
[3-[5-(4-formylphenyl)thiophen-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl morpholine-4-carboxylate has a molecular weight of 416.46 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(4-formylphenyl)thiophen-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl morpholine-4-carboxylate is sourced from PubChem (CID 10112593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).