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

C13H10FN7O2 — CID 164936186

IUPAC5-[[5-(5-fluoropyrazin-2-yl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide
SMILESN/C(=N/O)c1ccc(Nc2ncc(-c3cnc(F)cn3)o2)cn1
InChIInChI=1S/C13H10FN7O2/c14-11-6-17-9(4-18-11)10-5-19-13(23-10)20-7-1-2-8(16-3-7)12(15)21-22/h1-6,22H,(H2,15,21)(H,19,20)
InChIKeyKLLIHSLGGOVULZ-UHFFFAOYSA-N
MW315.27 g/mol
LogP1.50
Rot. Bonds4

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

5-[[5-(5-fluoropyrazin-2-yl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide (PubChem CID 164936186) has the molecular formula C13H10FN7O2 and a molecular weight of 315.27 g/mol. Its IUPAC name is 5-[[5-(5-fluoropyrazin-2-yl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide.

Molecular Properties

Compound Name5-[[5-(5-fluoropyrazin-2-yl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide
PubChem CID164936186
Molecular FormulaC13H10FN7O2
Molecular Weight315.27 g/mol
Exact Mass315.09
IUPAC Name5-[[5-(5-fluoropyrazin-2-yl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide
SMILESN/C(=N/O)c1ccc(Nc2ncc(-c3cnc(F)cn3)o2)cn1
InChIInChI=1S/C13H10FN7O2/c14-11-6-17-9(4-18-11)10-5-19-13(23-10)20-7-1-2-8(16-3-7)12(15)21-22/h1-6,22H,(H2,15,21)(H,19,20)
InChIKeyKLLIHSLGGOVULZ-UHFFFAOYSA-N
XLogP1.50
TPSA135.34 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.27
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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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Related Compounds

5-[[5-[4-(difluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide
CID 155585247
5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide
CID 172942272
3-fluoro-N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide
CID 155585112
N',3-dihydroxy-5-[[5-(5-methyl-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide
CID 172932788
N'-hydroxy-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboximidamide
CID 155585177
5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide
CID 155585459
N'-hydroxy-5-[5-[6-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]furan-2-yl]pyridine-2-carboximidamide
CID 172920316
N'-hydroxy-5-[[1-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]amino]pyridine-2-carboximidamide
CID 167712558
methyl 5-[[5-(3,4-difluorophenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxylate
CID 155585480
N',3-dihydroxy-5-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide
CID 172965921
2,2-dichloro-N-[6-(N'-hydroxycarbamimidoyl)-3-pyridinyl]acetamide
CID 136660056
N-[(2R)-2,3-dihydroxypropyl]-5-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide
CID 155585279

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(5-fluoropyrazin-2-yl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide?
The IUPAC name of 5-[[5-(5-fluoropyrazin-2-yl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide (CID 164936186) is 5-[[5-(5-fluoropyrazin-2-yl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide.
What is the SMILES notation for 5-[[5-(5-fluoropyrazin-2-yl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide?
The canonical SMILES for 5-[[5-(5-fluoropyrazin-2-yl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide is N/C(=N/O)c1ccc(Nc2ncc(-c3cnc(F)cn3)o2)cn1.
What is the InChIKey of 5-[[5-(5-fluoropyrazin-2-yl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide?
The InChIKey is KLLIHSLGGOVULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN7O2/c14-11-6-17-9(4-18-11)10-5-19-13(23-10)20-7-1-2-8(16-3-7)12(15)21-22/h1-6,22H,(H2,15,21)(H,19,20).
What are the key properties of 5-[[5-(5-fluoropyrazin-2-yl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide?
5-[[5-(5-fluoropyrazin-2-yl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide has a molecular weight of 315.27 g/mol, XLogP of 1.50, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(5-fluoropyrazin-2-yl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide is sourced from PubChem (CID 164936186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).