2-bromo-5-(5-methyl-2-pyridinyl)-1,3-oxazole;N'-hydroxy-5-[[5-(5-methyl-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;5-(5-methyl-2-pyridinyl)-1,3-oxazole;5-[[5-(5-methyl-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile

C48H40BrN15O5 — CID 172965943

About 2-bromo-5-(5-methyl-2-pyridinyl)-1,3-oxazole;N'-hydroxy-5-[[5-(5-methyl-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;5-(5-methyl-2-pyridinyl)-1,3-oxazole;5-[[5-(5-methyl-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile

2-bromo-5-(5-methyl-2-pyridinyl)-1,3-oxazole;N'-hydroxy-5-[[5-(5-methyl-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;5-(5-methyl-2-pyridinyl)-1,3-oxazole;5-[[5-(5-methyl-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile (PubChem CID 172965943) has the molecular formula C48H40BrN15O5 and a molecular weight of 986.85 g/mol. Its IUPAC name is 2-bromo-5-(5-methyl-2-pyridinyl)-1,3-oxazole;N'-hydroxy-5-[[5-(5-methyl-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;5-(5-methyl-2-pyridinyl)-1,3-oxazole;5-[[5-(5-methyl-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile.

Molecular Properties

• Compound Name: 2-bromo-5-(5-methyl-2-pyridinyl)-1,3-oxazole;N'-hydroxy-5-[[5-(5-methyl-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;5-(5-methyl-2-pyridinyl)-1,3-oxazole;5-[[5-(5-methyl-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile
• PubChem CID: 172965943
• Molecular Formula: C48H40BrN15O5
• Molecular Weight: 986.85 g/mol
• Exact Mass: 985.25
• IUPAC Name: 2-bromo-5-(5-methyl-2-pyridinyl)-1,3-oxazole;N'-hydroxy-5-[[5-(5-methyl-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;5-(5-methyl-2-pyridinyl)-1,3-oxazole;5-[[5-(5-methyl-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile
• SMILES: Cc1ccc(-c2cnc(Br)o2)nc1.Cc1ccc(-c2cnc(Nc3ccc(/C(N)=N/O)nc3)o2)nc1.Cc1ccc(-c2cnc(Nc3ccc(C#N)nc3)o2)nc1.Cc1ccc(-c2cnco2)nc1
• InChI: InChI=1S/C15H14N6O2.C15H11N5O.C9H7BrN2O.C9H8N2O/c1-9-2-4-11(17-6-9)13-8-19-15(23-13)20-10-3-5-12(18-7-10)14(16)21-22;1-10-2-5-13(18-7-10)14-9-19-15(21-14)20-12-4-3-11(6-16)17-8-12;1-6-2-3-7(11-4-6)8-5-12-9(10)13-8;1-7-2-3-8(11-4-7)9-5-10-6-12-9/h2-8,22H,1H3,(H2,16,21)(H,19,20);2-5,7-9H,1H3,(H,19,20);2-5H,1H3;2-6H,1H3
• InChIKey: SCMKDTVLOUCWNC-UHFFFAOYSA-N
• XLogP: 10.19
• TPSA: 287.92 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 9
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	986.85
LogP ≤ 5	10.19
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

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'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(5-methyl-2-pyridinyl)-1,3-oxazole;N'-hydroxy-5-[[5-(5-methyl-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;5-(5-methyl-2-pyridinyl)-1,3-oxazole;5-[[5-(5-methyl-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile?

The IUPAC name of 2-bromo-5-(5-methyl-2-pyridinyl)-1,3-oxazole;N'-hydroxy-5-[[5-(5-methyl-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;5-(5-methyl-2-pyridinyl)-1,3-oxazole;5-[[5-(5-methyl-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile (CID 172965943) is 2-bromo-5-(5-methyl-2-pyridinyl)-1,3-oxazole;N'-hydroxy-5-[[5-(5-methyl-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;5-(5-methyl-2-pyridinyl)-1,3-oxazole;5-[[5-(5-methyl-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile.

What is the SMILES notation for 2-bromo-5-(5-methyl-2-pyridinyl)-1,3-oxazole;N'-hydroxy-5-[[5-(5-methyl-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;5-(5-methyl-2-pyridinyl)-1,3-oxazole;5-[[5-(5-methyl-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile?

The canonical SMILES for 2-bromo-5-(5-methyl-2-pyridinyl)-1,3-oxazole;N'-hydroxy-5-[[5-(5-methyl-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;5-(5-methyl-2-pyridinyl)-1,3-oxazole;5-[[5-(5-methyl-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile is Cc1ccc(-c2cnc(Br)o2)nc1.Cc1ccc(-c2cnc(Nc3ccc(/C(N)=N/O)nc3)o2)nc1.Cc1ccc(-c2cnc(Nc3ccc(C#N)nc3)o2)nc1.Cc1ccc(-c2cnco2)nc1.

What is the InChIKey of 2-bromo-5-(5-methyl-2-pyridinyl)-1,3-oxazole;N'-hydroxy-5-[[5-(5-methyl-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;5-(5-methyl-2-pyridinyl)-1,3-oxazole;5-[[5-(5-methyl-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile?

The InChIKey is SCMKDTVLOUCWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O2.C15H11N5O.C9H7BrN2O.C9H8N2O/c1-9-2-4-11(17-6-9)13-8-19-15(23-13)20-10-3-5-12(18-7-10)14(16)21-22;1-10-2-5-13(18-7-10)14-9-19-15(21-14)20-12-4-3-11(6-16)17-8-12;1-6-2-3-7(11-4-6)8-5-12-9(10)13-8;1-7-2-3-8(11-4-7)9-5-10-6-12-9/h2-8,22H,1H3,(H2,16,21)(H,19,20);2-5,7-9H,1H3,(H,19,20);2-5H,1H3;2-6H,1H3.

What are the key properties of 2-bromo-5-(5-methyl-2-pyridinyl)-1,3-oxazole;N'-hydroxy-5-[[5-(5-methyl-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;5-(5-methyl-2-pyridinyl)-1,3-oxazole;5-[[5-(5-methyl-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile?

2-bromo-5-(5-methyl-2-pyridinyl)-1,3-oxazole;N'-hydroxy-5-[[5-(5-methyl-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;5-(5-methyl-2-pyridinyl)-1,3-oxazole;5-[[5-(5-methyl-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile has a molecular weight of 986.85 g/mol, XLogP of 10.19, 9 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-5-(5-methyl-2-pyridinyl)-1,3-oxazole;N'-hydroxy-5-[[5-(5-methyl-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;5-(5-methyl-2-pyridinyl)-1,3-oxazole;5-[[5-(5-methyl-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 172965943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).