2-(diethylamino)-N'-hydroxy-1,3-oxazole-5-carboximidamide

C8H14N4O2 — CID 112713128

IUPAC2-(diethylamino)-N'-hydroxy-1,3-oxazole-5-carboximidamide
SMILESCCN(CC)c1ncc(/C(N)=N\O)o1
InChIInChI=1S/C8H14N4O2/c1-3-12(4-2)8-10-5-6(14-8)7(9)11-13/h5,13H,3-4H2,1-2H3,(H2,9,11)
InChIKeyWPWLDGXSKJUSAV-UHFFFAOYSA-N
MW198.23 g/mol
LogP0.62
Rot. Bonds4

About 2-(diethylamino)-N'-hydroxy-1,3-oxazole-5-carboximidamide

2-(diethylamino)-N'-hydroxy-1,3-oxazole-5-carboximidamide (PubChem CID 112713128) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 2-(diethylamino)-N'-hydroxy-1,3-oxazole-5-carboximidamide.

Molecular Properties

Compound Name2-(diethylamino)-N'-hydroxy-1,3-oxazole-5-carboximidamide
PubChem CID112713128
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name2-(diethylamino)-N'-hydroxy-1,3-oxazole-5-carboximidamide
SMILESCCN(CC)c1ncc(/C(N)=N\O)o1
InChIInChI=1S/C8H14N4O2/c1-3-12(4-2)8-10-5-6(14-8)7(9)11-13/h5,13H,3-4H2,1-2H3,(H2,9,11)
InChIKeyWPWLDGXSKJUSAV-UHFFFAOYSA-N
XLogP0.62
TPSA87.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N'-hydroxy-1,3-oxazole-5-carboximidamide?
The IUPAC name of 2-(diethylamino)-N'-hydroxy-1,3-oxazole-5-carboximidamide (CID 112713128) is 2-(diethylamino)-N'-hydroxy-1,3-oxazole-5-carboximidamide.
What is the SMILES notation for 2-(diethylamino)-N'-hydroxy-1,3-oxazole-5-carboximidamide?
The canonical SMILES for 2-(diethylamino)-N'-hydroxy-1,3-oxazole-5-carboximidamide is CCN(CC)c1ncc(/C(N)=N\O)o1.
What is the InChIKey of 2-(diethylamino)-N'-hydroxy-1,3-oxazole-5-carboximidamide?
The InChIKey is WPWLDGXSKJUSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-3-12(4-2)8-10-5-6(14-8)7(9)11-13/h5,13H,3-4H2,1-2H3,(H2,9,11).
What are the key properties of 2-(diethylamino)-N'-hydroxy-1,3-oxazole-5-carboximidamide?
2-(diethylamino)-N'-hydroxy-1,3-oxazole-5-carboximidamide has a molecular weight of 198.23 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N'-hydroxy-1,3-oxazole-5-carboximidamide is sourced from PubChem (CID 112713128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).