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

C13H10ClN7O2 — CID 155585548

IUPAC5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide
SMILESNC(=NO)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 155585548) 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 CID155585548
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
SMILESNC(=NO)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'}

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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 155585548) 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 NC(=NO)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 155585548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).