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

C13H10ClN7O2 — CID 167648731

IUPAC5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide
SMILESN/C(=N\O)c1cnc(Nc2ncc(-c3ccc(Cl)cn3)o2)cn1
InChIInChI=1S/C13H10ClN7O2/c14-7-1-2-8(16-3-7)10-5-19-13(23-10)20-11-6-17-9(4-18-11)12(15)21-22/h1-6,22H,(H2,15,21)(H,18,19,20)
InChIKeyQGLVOVBJTFRESF-UHFFFAOYSA-N
MW331.72 g/mol
LogP2.02
Rot. Bonds4

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

5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide (PubChem CID 167648731) has the molecular formula C13H10ClN7O2 and a molecular weight of 331.72 g/mol. Its IUPAC name is 5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide.

Molecular Properties

Compound Name5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide
PubChem CID167648731
Molecular FormulaC13H10ClN7O2
Molecular Weight331.72 g/mol
Exact Mass331.06
IUPAC Name5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide
SMILESN/C(=N\O)c1cnc(Nc2ncc(-c3ccc(Cl)cn3)o2)cn1
InChIInChI=1S/C13H10ClN7O2/c14-7-1-2-8(16-3-7)10-5-19-13(23-10)20-11-6-17-9(4-18-11)12(15)21-22/h1-6,22H,(H2,15,21)(H,18,19,20)
InChIKeyQGLVOVBJTFRESF-UHFFFAOYSA-N
XLogP2.02
TPSA135.34 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.72
LogP ≤ 52.02
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'}

Analyze 5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methyl-2-pyridinyl)-5-pyridin-2-yl-1,3-oxazol-2-amine
CID 162669351
6-(1,3-oxazol-5-yl)-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine
CID 118862321
3-fluoro-N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide
CID 155585112
N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide
CID 155585118
5-[[5-(5-Fluoro-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile
CID 155585151
6-[[5-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridazine-3-carboximidamide
CID 155585166
N'-hydroxy-5-[[5-[5-(trifluoromethoxy)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide
CID 155585178
N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrazine-2-carboximidamide
CID 155585188
5-[[5-[5-(Trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile
CID 155585215
N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrimidine-2-carboximidamide
CID 155585301
5-[[5-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide
CID 155585355
N'-hydroxy-5-[[5-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide
CID 155585464

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide?
The IUPAC name of 5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide (CID 167648731) is 5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide.
What is the SMILES notation for 5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide?
The canonical SMILES for 5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide is N/C(=N\O)c1cnc(Nc2ncc(-c3ccc(Cl)cn3)o2)cn1.
What is the InChIKey of 5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide?
The InChIKey is QGLVOVBJTFRESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN7O2/c14-7-1-2-8(16-3-7)10-5-19-13(23-10)20-11-6-17-9(4-18-11)12(15)21-22/h1-6,22H,(H2,15,21)(H,18,19,20).
What are the key properties of 5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide?
5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide has a molecular weight of 331.72 g/mol, XLogP of 2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide is sourced from PubChem (CID 167648731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).