4-(furan-2-yl)-1,2,5-oxadiazole-3-carbaldehyde

C7H4N2O3 — CID 96633688

IUPAC4-(furan-2-yl)-1,2,5-oxadiazole-3-carbaldehyde
SMILESO=Cc1nonc1-c1ccco1
InChIInChI=1S/C7H4N2O3/c10-4-5-7(9-12-8-5)6-2-1-3-11-6/h1-4H
InChIKeyVJKLZEGUXMNAJX-UHFFFAOYSA-N
MW164.12 g/mol
LogP1.14
Rot. Bonds2

About 4-(furan-2-yl)-1,2,5-oxadiazole-3-carbaldehyde

4-(furan-2-yl)-1,2,5-oxadiazole-3-carbaldehyde (PubChem CID 96633688) has the molecular formula C7H4N2O3 and a molecular weight of 164.12 g/mol. Its IUPAC name is 4-(furan-2-yl)-1,2,5-oxadiazole-3-carbaldehyde.

Molecular Properties

Compound Name4-(furan-2-yl)-1,2,5-oxadiazole-3-carbaldehyde
PubChem CID96633688
Molecular FormulaC7H4N2O3
Molecular Weight164.12 g/mol
Exact Mass164.02
IUPAC Name4-(furan-2-yl)-1,2,5-oxadiazole-3-carbaldehyde
SMILESO=Cc1nonc1-c1ccco1
InChIInChI=1S/C7H4N2O3/c10-4-5-7(9-12-8-5)6-2-1-3-11-6/h1-4H
InChIKeyVJKLZEGUXMNAJX-UHFFFAOYSA-N
XLogP1.14
TPSA69.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.12
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-1,2,5-oxadiazole-3-carbaldehyde?
The IUPAC name of 4-(furan-2-yl)-1,2,5-oxadiazole-3-carbaldehyde (CID 96633688) is 4-(furan-2-yl)-1,2,5-oxadiazole-3-carbaldehyde.
What is the SMILES notation for 4-(furan-2-yl)-1,2,5-oxadiazole-3-carbaldehyde?
The canonical SMILES for 4-(furan-2-yl)-1,2,5-oxadiazole-3-carbaldehyde is O=Cc1nonc1-c1ccco1.
What is the InChIKey of 4-(furan-2-yl)-1,2,5-oxadiazole-3-carbaldehyde?
The InChIKey is VJKLZEGUXMNAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N2O3/c10-4-5-7(9-12-8-5)6-2-1-3-11-6/h1-4H.
What are the key properties of 4-(furan-2-yl)-1,2,5-oxadiazole-3-carbaldehyde?
4-(furan-2-yl)-1,2,5-oxadiazole-3-carbaldehyde has a molecular weight of 164.12 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-1,2,5-oxadiazole-3-carbaldehyde is sourced from PubChem (CID 96633688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).