5-aminopyrazine-2-carbonitrile;2-chloro-5-(4-chlorophenyl)-1,3-oxazole;5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide;5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile

C42H28Cl4N16O4 — CID 172965932

About 5-aminopyrazine-2-carbonitrile;2-chloro-5-(4-chlorophenyl)-1,3-oxazole;5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide;5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile

5-aminopyrazine-2-carbonitrile;2-chloro-5-(4-chlorophenyl)-1,3-oxazole;5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide;5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile (PubChem CID 172965932) has the molecular formula C42H28Cl4N16O4 and a molecular weight of 962.61 g/mol. Its IUPAC name is 5-aminopyrazine-2-carbonitrile;2-chloro-5-(4-chlorophenyl)-1,3-oxazole;5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide;5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

• Compound Name: 5-aminopyrazine-2-carbonitrile;2-chloro-5-(4-chlorophenyl)-1,3-oxazole;5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide;5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile
• PubChem CID: 172965932
• Molecular Formula: C42H28Cl4N16O4
• Molecular Weight: 962.61 g/mol
• Exact Mass: 960.12
• IUPAC Name: 5-aminopyrazine-2-carbonitrile;2-chloro-5-(4-chlorophenyl)-1,3-oxazole;5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide;5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile
• SMILES: Clc1ccc(-c2cnc(Cl)o2)cc1.N#Cc1cnc(N)cn1.N#Cc1cnc(Nc2ncc(-c3ccc(Cl)cc3)o2)cn1.N/C(=N\O)c1cnc(Nc2ncc(-c3ccc(Cl)cc3)o2)cn1
• InChI: InChI=1S/C14H11ClN6O2.C14H8ClN5O.C9H5Cl2NO.C5H4N4/c15-9-3-1-8(2-4-9)11-6-19-14(23-11)20-12-7-17-10(5-18-12)13(16)21-22;15-10-3-1-9(2-4-10)12-7-19-14(21-12)20-13-8-17-11(5-16)6-18-13;10-7-3-1-6(2-4-7)8-5-12-9(11)13-8;6-1-4-2-9-5(7)3-8-4/h1-7,22H,(H2,16,21)(H,18,19,20);1-4,6-8H,(H,18,19,20);1-5H;2-3H,(H2,7,9)
• InChIKey: RYTMEKSGKHVAEJ-UHFFFAOYSA-N
• XLogP: 9.60
• TPSA: 311.70 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 8
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	962.61
LogP ≤ 5	9.60
H-Bond Donors ≤ 5	5
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 5-aminopyrazine-2-carbonitrile;2-chloro-5-(4-chlorophenyl)-1,3-oxazole;5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide;5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile?

The IUPAC name of 5-aminopyrazine-2-carbonitrile;2-chloro-5-(4-chlorophenyl)-1,3-oxazole;5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide;5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile (CID 172965932) is 5-aminopyrazine-2-carbonitrile;2-chloro-5-(4-chlorophenyl)-1,3-oxazole;5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide;5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile.

What is the SMILES notation for 5-aminopyrazine-2-carbonitrile;2-chloro-5-(4-chlorophenyl)-1,3-oxazole;5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide;5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile?

The canonical SMILES for 5-aminopyrazine-2-carbonitrile;2-chloro-5-(4-chlorophenyl)-1,3-oxazole;5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide;5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile is Clc1ccc(-c2cnc(Cl)o2)cc1.N#Cc1cnc(N)cn1.N#Cc1cnc(Nc2ncc(-c3ccc(Cl)cc3)o2)cn1.N/C(=N\O)c1cnc(Nc2ncc(-c3ccc(Cl)cc3)o2)cn1.

What is the InChIKey of 5-aminopyrazine-2-carbonitrile;2-chloro-5-(4-chlorophenyl)-1,3-oxazole;5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide;5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile?

The InChIKey is RYTMEKSGKHVAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN6O2.C14H8ClN5O.C9H5Cl2NO.C5H4N4/c15-9-3-1-8(2-4-9)11-6-19-14(23-11)20-12-7-17-10(5-18-12)13(16)21-22;15-10-3-1-9(2-4-10)12-7-19-14(21-12)20-13-8-17-11(5-16)6-18-13;10-7-3-1-6(2-4-7)8-5-12-9(11)13-8;6-1-4-2-9-5(7)3-8-4/h1-7,22H,(H2,16,21)(H,18,19,20);1-4,6-8H,(H,18,19,20);1-5H;2-3H,(H2,7,9).

What are the key properties of 5-aminopyrazine-2-carbonitrile;2-chloro-5-(4-chlorophenyl)-1,3-oxazole;5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide;5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile?

5-aminopyrazine-2-carbonitrile;2-chloro-5-(4-chlorophenyl)-1,3-oxazole;5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide;5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 962.61 g/mol, XLogP of 9.60, 8 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 5-aminopyrazine-2-carbonitrile;2-chloro-5-(4-chlorophenyl)-1,3-oxazole;5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide;5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 172965932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).