5-pyrazin-2-yl-1,2-oxazole-3-carbaldehyde

C8H5N3O2 — CID 175104512

IUPAC5-pyrazin-2-yl-1,2-oxazole-3-carbaldehyde
SMILESO=Cc1cc(-c2cnccn2)on1
InChIInChI=1S/C8H5N3O2/c12-5-6-3-8(13-11-6)7-4-9-1-2-10-7/h1-5H
InChIKeyGMTFXJKRNSUFBN-UHFFFAOYSA-N
MW175.15 g/mol
LogP0.94
Rot. Bonds2

About 5-pyrazin-2-yl-1,2-oxazole-3-carbaldehyde

5-pyrazin-2-yl-1,2-oxazole-3-carbaldehyde (PubChem CID 175104512) has the molecular formula C8H5N3O2 and a molecular weight of 175.15 g/mol. Its IUPAC name is 5-pyrazin-2-yl-1,2-oxazole-3-carbaldehyde.

Molecular Properties

Compound Name5-pyrazin-2-yl-1,2-oxazole-3-carbaldehyde
PubChem CID175104512
Molecular FormulaC8H5N3O2
Molecular Weight175.15 g/mol
Exact Mass175.04
IUPAC Name5-pyrazin-2-yl-1,2-oxazole-3-carbaldehyde
SMILESO=Cc1cc(-c2cnccn2)on1
InChIInChI=1S/C8H5N3O2/c12-5-6-3-8(13-11-6)7-4-9-1-2-10-7/h1-5H
InChIKeyGMTFXJKRNSUFBN-UHFFFAOYSA-N
XLogP0.94
TPSA68.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.15
LogP ≤ 50.94
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 5-pyrazin-2-yl-1,2-oxazole-3-carbaldehyde?
The IUPAC name of 5-pyrazin-2-yl-1,2-oxazole-3-carbaldehyde (CID 175104512) is 5-pyrazin-2-yl-1,2-oxazole-3-carbaldehyde.
What is the SMILES notation for 5-pyrazin-2-yl-1,2-oxazole-3-carbaldehyde?
The canonical SMILES for 5-pyrazin-2-yl-1,2-oxazole-3-carbaldehyde is O=Cc1cc(-c2cnccn2)on1.
What is the InChIKey of 5-pyrazin-2-yl-1,2-oxazole-3-carbaldehyde?
The InChIKey is GMTFXJKRNSUFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3O2/c12-5-6-3-8(13-11-6)7-4-9-1-2-10-7/h1-5H.
What are the key properties of 5-pyrazin-2-yl-1,2-oxazole-3-carbaldehyde?
5-pyrazin-2-yl-1,2-oxazole-3-carbaldehyde has a molecular weight of 175.15 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrazin-2-yl-1,2-oxazole-3-carbaldehyde is sourced from PubChem (CID 175104512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).