5-[(2-oxo-1,3-oxazolidin-3-yl)iminomethyl]furan-2-carbaldehyde

C9H8N2O4 — CID 165352618

IUPAC5-[(2-oxo-1,3-oxazolidin-3-yl)iminomethyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(C=NN2CCOC2=O)o1
InChIInChI=1S/C9H8N2O4/c12-6-8-2-1-7(15-8)5-10-11-3-4-14-9(11)13/h1-2,5-6H,3-4H2
InChIKeyLXTYHEGBRZQFRB-UHFFFAOYSA-N
MW208.17 g/mol
LogP0.88
Rot. Bonds3

About 5-[(2-oxo-1,3-oxazolidin-3-yl)iminomethyl]furan-2-carbaldehyde

5-[(2-oxo-1,3-oxazolidin-3-yl)iminomethyl]furan-2-carbaldehyde (PubChem CID 165352618) has the molecular formula C9H8N2O4 and a molecular weight of 208.17 g/mol. Its IUPAC name is 5-[(2-oxo-1,3-oxazolidin-3-yl)iminomethyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[(2-oxo-1,3-oxazolidin-3-yl)iminomethyl]furan-2-carbaldehyde
PubChem CID165352618
Molecular FormulaC9H8N2O4
Molecular Weight208.17 g/mol
Exact Mass208.05
IUPAC Name5-[(2-oxo-1,3-oxazolidin-3-yl)iminomethyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(C=NN2CCOC2=O)o1
InChIInChI=1S/C9H8N2O4/c12-6-8-2-1-7(15-8)5-10-11-3-4-14-9(11)13/h1-2,5-6H,3-4H2
InChIKeyLXTYHEGBRZQFRB-UHFFFAOYSA-N
XLogP0.88
TPSA72.11 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-oxo-1,3-oxazolidin-3-yl)iminomethyl]furan-2-carbaldehyde?
The IUPAC name of 5-[(2-oxo-1,3-oxazolidin-3-yl)iminomethyl]furan-2-carbaldehyde (CID 165352618) is 5-[(2-oxo-1,3-oxazolidin-3-yl)iminomethyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[(2-oxo-1,3-oxazolidin-3-yl)iminomethyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[(2-oxo-1,3-oxazolidin-3-yl)iminomethyl]furan-2-carbaldehyde is O=Cc1ccc(C=NN2CCOC2=O)o1.
What is the InChIKey of 5-[(2-oxo-1,3-oxazolidin-3-yl)iminomethyl]furan-2-carbaldehyde?
The InChIKey is LXTYHEGBRZQFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O4/c12-6-8-2-1-7(15-8)5-10-11-3-4-14-9(11)13/h1-2,5-6H,3-4H2.
What are the key properties of 5-[(2-oxo-1,3-oxazolidin-3-yl)iminomethyl]furan-2-carbaldehyde?
5-[(2-oxo-1,3-oxazolidin-3-yl)iminomethyl]furan-2-carbaldehyde has a molecular weight of 208.17 g/mol, XLogP of 0.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-oxo-1,3-oxazolidin-3-yl)iminomethyl]furan-2-carbaldehyde is sourced from PubChem (CID 165352618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).