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

C6H10N4O2 — CID 112712079

IUPAC2-(dimethylamino)-N'-hydroxy-1,3-oxazole-5-carboximidamide
SMILESCN(C)c1ncc(/C(N)=N\O)o1
InChIInChI=1S/C6H10N4O2/c1-10(2)6-8-3-4(12-6)5(7)9-11/h3,11H,1-2H3,(H2,7,9)
InChIKeyKTKBWWOSOZLSMB-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.16
Rot. Bonds2

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

2-(dimethylamino)-N'-hydroxy-1,3-oxazole-5-carboximidamide (PubChem CID 112712079) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-(dimethylamino)-N'-hydroxy-1,3-oxazole-5-carboximidamide.

Molecular Properties

Compound Name2-(dimethylamino)-N'-hydroxy-1,3-oxazole-5-carboximidamide
PubChem CID112712079
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name2-(dimethylamino)-N'-hydroxy-1,3-oxazole-5-carboximidamide
SMILESCN(C)c1ncc(/C(N)=N\O)o1
InChIInChI=1S/C6H10N4O2/c1-10(2)6-8-3-4(12-6)5(7)9-11/h3,11H,1-2H3,(H2,7,9)
InChIKeyKTKBWWOSOZLSMB-UHFFFAOYSA-N
XLogP-0.16
TPSA87.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.16
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-(dimethylamino)-N'-hydroxy-1,3-oxazole-5-carboximidamide?
The IUPAC name of 2-(dimethylamino)-N'-hydroxy-1,3-oxazole-5-carboximidamide (CID 112712079) is 2-(dimethylamino)-N'-hydroxy-1,3-oxazole-5-carboximidamide.
What is the SMILES notation for 2-(dimethylamino)-N'-hydroxy-1,3-oxazole-5-carboximidamide?
The canonical SMILES for 2-(dimethylamino)-N'-hydroxy-1,3-oxazole-5-carboximidamide is CN(C)c1ncc(/C(N)=N\O)o1.
What is the InChIKey of 2-(dimethylamino)-N'-hydroxy-1,3-oxazole-5-carboximidamide?
The InChIKey is KTKBWWOSOZLSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c1-10(2)6-8-3-4(12-6)5(7)9-11/h3,11H,1-2H3,(H2,7,9).
What are the key properties of 2-(dimethylamino)-N'-hydroxy-1,3-oxazole-5-carboximidamide?
2-(dimethylamino)-N'-hydroxy-1,3-oxazole-5-carboximidamide has a molecular weight of 170.17 g/mol, XLogP of -0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N'-hydroxy-1,3-oxazole-5-carboximidamide is sourced from PubChem (CID 112712079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).