5-(1,3-oxazol-5-yl)furan-2-carbaldehyde

C8H5NO3 — CID 59108730

IUPAC5-(1,3-oxazol-5-yl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cnco2)o1
InChIInChI=1S/C8H5NO3/c10-4-6-1-2-7(12-6)8-3-9-5-11-8/h1-5H
InChIKeyUQCDLGKZORGBCI-UHFFFAOYSA-N
MW163.13 g/mol
LogP1.75
Rot. Bonds2

About 5-(1,3-oxazol-5-yl)furan-2-carbaldehyde

5-(1,3-oxazol-5-yl)furan-2-carbaldehyde (PubChem CID 59108730) has the molecular formula C8H5NO3 and a molecular weight of 163.13 g/mol. Its IUPAC name is 5-(1,3-oxazol-5-yl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(1,3-oxazol-5-yl)furan-2-carbaldehyde
PubChem CID59108730
Molecular FormulaC8H5NO3
Molecular Weight163.13 g/mol
Exact Mass163.03
IUPAC Name5-(1,3-oxazol-5-yl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cnco2)o1
InChIInChI=1S/C8H5NO3/c10-4-6-1-2-7(12-6)8-3-9-5-11-8/h1-5H
InChIKeyUQCDLGKZORGBCI-UHFFFAOYSA-N
XLogP1.75
TPSA56.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.13
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-oxazol-5-yl)furan-2-carbaldehyde?
The IUPAC name of 5-(1,3-oxazol-5-yl)furan-2-carbaldehyde (CID 59108730) is 5-(1,3-oxazol-5-yl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(1,3-oxazol-5-yl)furan-2-carbaldehyde?
The canonical SMILES for 5-(1,3-oxazol-5-yl)furan-2-carbaldehyde is O=Cc1ccc(-c2cnco2)o1.
What is the InChIKey of 5-(1,3-oxazol-5-yl)furan-2-carbaldehyde?
The InChIKey is UQCDLGKZORGBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO3/c10-4-6-1-2-7(12-6)8-3-9-5-11-8/h1-5H.
What are the key properties of 5-(1,3-oxazol-5-yl)furan-2-carbaldehyde?
5-(1,3-oxazol-5-yl)furan-2-carbaldehyde has a molecular weight of 163.13 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-oxazol-5-yl)furan-2-carbaldehyde is sourced from PubChem (CID 59108730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).