5-[[5-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide

C14H11FN6O2 — CID 155585355

IUPAC5-[[5-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide
SMILESNC(=NO)c1ccc(Nc2ncc(-c3ccc(F)cn3)o2)cn1
InChIInChI=1S/C14H11FN6O2/c15-8-1-3-10(17-5-8)12-7-19-14(23-12)20-9-2-4-11(18-6-9)13(16)21-22/h1-7,22H,(H2,16,21)(H,19,20)
InChIKeyHTMANXPUSNEJOE-UHFFFAOYSA-N
MW314.28 g/mol
LogP2.11
Rot. Bonds4

About 5-[[5-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide

5-[[5-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide (PubChem CID 155585355) has the molecular formula C14H11FN6O2 and a molecular weight of 314.28 g/mol. Its IUPAC name is 5-[[5-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide.

Molecular Properties

Compound Name5-[[5-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide
PubChem CID155585355
Molecular FormulaC14H11FN6O2
Molecular Weight314.28 g/mol
Exact Mass314.09
IUPAC Name5-[[5-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide
SMILESNC(=NO)c1ccc(Nc2ncc(-c3ccc(F)cn3)o2)cn1
InChIInChI=1S/C14H11FN6O2/c15-8-1-3-10(17-5-8)12-7-19-14(23-12)20-9-2-4-11(18-6-9)13(16)21-22/h1-7,22H,(H2,16,21)(H,19,20)
InChIKeyHTMANXPUSNEJOE-UHFFFAOYSA-N
XLogP2.11
TPSA122.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.28
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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 5-[[5-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide?
The IUPAC name of 5-[[5-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide (CID 155585355) is 5-[[5-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide.
What is the SMILES notation for 5-[[5-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide?
The canonical SMILES for 5-[[5-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide is NC(=NO)c1ccc(Nc2ncc(-c3ccc(F)cn3)o2)cn1.
What is the InChIKey of 5-[[5-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide?
The InChIKey is HTMANXPUSNEJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN6O2/c15-8-1-3-10(17-5-8)12-7-19-14(23-12)20-9-2-4-11(18-6-9)13(16)21-22/h1-7,22H,(H2,16,21)(H,19,20).
What are the key properties of 5-[[5-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide?
5-[[5-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide has a molecular weight of 314.28 g/mol, XLogP of 2.11, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide is sourced from PubChem (CID 155585355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).