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

C6H9N3O2 — CID 88755760

IUPAC5-(3-oxidoimidazolidin-3-ium-1-yl)-1,2-oxazole
SMILES[O-][NH+]1CCN(c2ccno2)C1
InChIInChI=1S/C6H9N3O2/c10-9-4-3-8(5-9)6-1-2-7-11-6/h1-2,9H,3-5H2
InChIKeySPAQSYKJSTYUFK-UHFFFAOYSA-N
MW155.16 g/mol
LogP-1.17
Rot. Bonds1

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

5-(3-oxidoimidazolidin-3-ium-1-yl)-1,2-oxazole (PubChem CID 88755760) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 5-(3-oxidoimidazolidin-3-ium-1-yl)-1,2-oxazole.

Molecular Properties

Compound Name5-(3-oxidoimidazolidin-3-ium-1-yl)-1,2-oxazole
PubChem CID88755760
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name5-(3-oxidoimidazolidin-3-ium-1-yl)-1,2-oxazole
SMILES[O-][NH+]1CCN(c2ccno2)C1
InChIInChI=1S/C6H9N3O2/c10-9-4-3-8(5-9)6-1-2-7-11-6/h1-2,9H,3-5H2
InChIKeySPAQSYKJSTYUFK-UHFFFAOYSA-N
XLogP-1.17
TPSA56.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-1.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-oxidoimidazolidin-3-ium-1-yl)-1,2-oxazole?
The IUPAC name of 5-(3-oxidoimidazolidin-3-ium-1-yl)-1,2-oxazole (CID 88755760) is 5-(3-oxidoimidazolidin-3-ium-1-yl)-1,2-oxazole.
What is the SMILES notation for 5-(3-oxidoimidazolidin-3-ium-1-yl)-1,2-oxazole?
The canonical SMILES for 5-(3-oxidoimidazolidin-3-ium-1-yl)-1,2-oxazole is [O-][NH+]1CCN(c2ccno2)C1.
What is the InChIKey of 5-(3-oxidoimidazolidin-3-ium-1-yl)-1,2-oxazole?
The InChIKey is SPAQSYKJSTYUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c10-9-4-3-8(5-9)6-1-2-7-11-6/h1-2,9H,3-5H2.
What are the key properties of 5-(3-oxidoimidazolidin-3-ium-1-yl)-1,2-oxazole?
5-(3-oxidoimidazolidin-3-ium-1-yl)-1,2-oxazole has a molecular weight of 155.16 g/mol, XLogP of -1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-oxidoimidazolidin-3-ium-1-yl)-1,2-oxazole is sourced from PubChem (CID 88755760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).