5-(1-oxidopyridin-1-ium-2-yl)-1,3-oxazole

C8H6N2O2 — CID 59750255

IUPAC5-(1-oxidopyridin-1-ium-2-yl)-1,3-oxazole
SMILES[O-][n+]1ccccc1-c1cnco1
InChIInChI=1S/C8H6N2O2/c11-10-4-2-1-3-7(10)8-5-9-6-12-8/h1-6H
InChIKeyKAKPAKMDAMDNKB-UHFFFAOYSA-N
MW162.15 g/mol
LogP0.98
Rot. Bonds1

About 5-(1-oxidopyridin-1-ium-2-yl)-1,3-oxazole

5-(1-oxidopyridin-1-ium-2-yl)-1,3-oxazole (PubChem CID 59750255) has the molecular formula C8H6N2O2 and a molecular weight of 162.15 g/mol. Its IUPAC name is 5-(1-oxidopyridin-1-ium-2-yl)-1,3-oxazole.

Molecular Properties

Compound Name5-(1-oxidopyridin-1-ium-2-yl)-1,3-oxazole
PubChem CID59750255
Molecular FormulaC8H6N2O2
Molecular Weight162.15 g/mol
Exact Mass162.04
IUPAC Name5-(1-oxidopyridin-1-ium-2-yl)-1,3-oxazole
SMILES[O-][n+]1ccccc1-c1cnco1
InChIInChI=1S/C8H6N2O2/c11-10-4-2-1-3-7(10)8-5-9-6-12-8/h1-6H
InChIKeyKAKPAKMDAMDNKB-UHFFFAOYSA-N
XLogP0.98
TPSA52.97 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1-oxidopyridin-1-ium-2-yl)-1,3-oxazole?
The IUPAC name of 5-(1-oxidopyridin-1-ium-2-yl)-1,3-oxazole (CID 59750255) is 5-(1-oxidopyridin-1-ium-2-yl)-1,3-oxazole.
What is the SMILES notation for 5-(1-oxidopyridin-1-ium-2-yl)-1,3-oxazole?
The canonical SMILES for 5-(1-oxidopyridin-1-ium-2-yl)-1,3-oxazole is [O-][n+]1ccccc1-c1cnco1.
What is the InChIKey of 5-(1-oxidopyridin-1-ium-2-yl)-1,3-oxazole?
The InChIKey is KAKPAKMDAMDNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2/c11-10-4-2-1-3-7(10)8-5-9-6-12-8/h1-6H.
What are the key properties of 5-(1-oxidopyridin-1-ium-2-yl)-1,3-oxazole?
5-(1-oxidopyridin-1-ium-2-yl)-1,3-oxazole has a molecular weight of 162.15 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-oxidopyridin-1-ium-2-yl)-1,3-oxazole is sourced from PubChem (CID 59750255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).