6-chloro-4-[(4-methoxyphenyl)methoxy]pyridazine-3-carbonitrile;4,6-dichloropyridazine-3-carbonitrile;N'-hydroxy-4-[(4-methoxyphenyl)methoxy]-6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carboximidamide;N'-hydroxy-6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]-4-oxo-1H-pyridazine-3-carboximidamide;4-[(4-methoxyphenyl)methoxy]-6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile;5-(4-methylphenyl)-1,3-oxazol-2-amine

C89H76Cl3N25O13 — CID 172947016

About 6-chloro-4-[(4-methoxyphenyl)methoxy]pyridazine-3-carbonitrile;4,6-dichloropyridazine-3-carbonitrile;N'-hydroxy-4-[(4-methoxyphenyl)methoxy]-6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carboximidamide;N'-hydroxy-6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]-4-oxo-1H-pyridazine-3-carboximidamide;4-[(4-methoxyphenyl)methoxy]-6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile;5-(4-methylphenyl)-1,3-oxazol-2-amine

6-chloro-4-[(4-methoxyphenyl)methoxy]pyridazine-3-carbonitrile;4,6-dichloropyridazine-3-carbonitrile;N'-hydroxy-4-[(4-methoxyphenyl)methoxy]-6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carboximidamide;N'-hydroxy-6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]-4-oxo-1H-pyridazine-3-carboximidamide;4-[(4-methoxyphenyl)methoxy]-6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile;5-(4-methylphenyl)-1,3-oxazol-2-amine (PubChem CID 172947016) has the molecular formula C89H76Cl3N25O13 and a molecular weight of 1810.11 g/mol. Its IUPAC name is 6-chloro-4-[(4-methoxyphenyl)methoxy]pyridazine-3-carbonitrile;4,6-dichloropyridazine-3-carbonitrile;N'-hydroxy-4-[(4-methoxyphenyl)methoxy]-6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carboximidamide;N'-hydroxy-6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]-4-oxo-1H-pyridazine-3-carboximidamide;4-[(4-methoxyphenyl)methoxy]-6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile;5-(4-methylphenyl)-1,3-oxazol-2-amine.

Molecular Properties

• Compound Name: 6-chloro-4-[(4-methoxyphenyl)methoxy]pyridazine-3-carbonitrile;4,6-dichloropyridazine-3-carbonitrile;N'-hydroxy-4-[(4-methoxyphenyl)methoxy]-6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carboximidamide;N'-hydroxy-6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]-4-oxo-1H-pyridazine-3-carboximidamide;4-[(4-methoxyphenyl)methoxy]-6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile;5-(4-methylphenyl)-1,3-oxazol-2-amine
• PubChem CID: 172947016
• Molecular Formula: C89H76Cl3N25O13
• Molecular Weight: 1810.11 g/mol
• Exact Mass: 1807.51
• IUPAC Name: 6-chloro-4-[(4-methoxyphenyl)methoxy]pyridazine-3-carbonitrile;4,6-dichloropyridazine-3-carbonitrile;N'-hydroxy-4-[(4-methoxyphenyl)methoxy]-6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carboximidamide;N'-hydroxy-6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]-4-oxo-1H-pyridazine-3-carboximidamide;4-[(4-methoxyphenyl)methoxy]-6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile;5-(4-methylphenyl)-1,3-oxazol-2-amine
• SMILES: COc1ccc(COc2cc(Cl)nnc2C#N)cc1.COc1ccc(COc2cc(Nc3ncc(-c4ccc(C)cc4)o3)nnc2/C(N)=N/O)cc1.COc1ccc(COc2cc(Nc3ncc(-c4ccc(C)cc4)o3)nnc2C#N)cc1.Cc1ccc(-c2cnc(N)o2)cc1.Cc1ccc(-c2cnc(Nc3cc(=O)c(/C(N)=N/O)n[nH]3)o2)cc1.N#Cc1nnc(Cl)cc1Cl
• InChI: InChI=1S/C23H22N6O4.C23H19N5O3.C15H14N6O3.C13H10ClN3O2.C10H10N2O.C5HCl2N3/c1-14-3-7-16(8-4-14)19-12-25-23(33-19)26-20-11-18(21(28-27-20)22(24)29-30)32-13-15-5-9-17(31-2)10-6-15;1-15-3-7-17(8-4-15)21-13-25-23(31-21)26-22-11-20(19(12-24)27-28-22)30-14-16-5-9-18(29-2)10-6-16;1-8-2-4-9(5-3-8)11-7-17-15(24-11)18-12-6-10(22)13(20-19-12)14(16)21-23;1-18-10-4-2-9(3-5-10)8-19-12-6-13(14)17-16-11(12)7-15;1-7-2-4-8(5-3-7)9-6-12-10(11)13-9;6-3-1-5(7)10-9-4(3)2-8/h3-12,30H,13H2,1-2H3,(H2,24,29)(H,25,26,27);3-11,13H,14H2,1-2H3,(H,25,26,28);2-7,23H,1H3,(H2,16,21)(H2,17,18,19,22);2-6H,8H2,1H3;2-6H,1H3,(H2,11,12);1H
• InChIKey: OWAPKALUZXXUQG-UHFFFAOYSA-N
• XLogP: 16.56
• TPSA: 559.07 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 35
• Rotatable Bonds: 24
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1810.11
LogP ≤ 5	16.56
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	35

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 6-chloro-4-[(4-methoxyphenyl)methoxy]pyridazine-3-carbonitrile;4,6-dichloropyridazine-3-carbonitrile;N'-hydroxy-4-[(4-methoxyphenyl)methoxy]-6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carboximidamide;N'-hydroxy-6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]-4-oxo-1H-pyridazine-3-carboximidamide;4-[(4-methoxyphenyl)methoxy]-6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile;5-(4-methylphenyl)-1,3-oxazol-2-amine?

The IUPAC name of 6-chloro-4-[(4-methoxyphenyl)methoxy]pyridazine-3-carbonitrile;4,6-dichloropyridazine-3-carbonitrile;N'-hydroxy-4-[(4-methoxyphenyl)methoxy]-6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carboximidamide;N'-hydroxy-6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]-4-oxo-1H-pyridazine-3-carboximidamide;4-[(4-methoxyphenyl)methoxy]-6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile;5-(4-methylphenyl)-1,3-oxazol-2-amine (CID 172947016) is 6-chloro-4-[(4-methoxyphenyl)methoxy]pyridazine-3-carbonitrile;4,6-dichloropyridazine-3-carbonitrile;N'-hydroxy-4-[(4-methoxyphenyl)methoxy]-6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carboximidamide;N'-hydroxy-6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]-4-oxo-1H-pyridazine-3-carboximidamide;4-[(4-methoxyphenyl)methoxy]-6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile;5-(4-methylphenyl)-1,3-oxazol-2-amine.

What is the SMILES notation for 6-chloro-4-[(4-methoxyphenyl)methoxy]pyridazine-3-carbonitrile;4,6-dichloropyridazine-3-carbonitrile;N'-hydroxy-4-[(4-methoxyphenyl)methoxy]-6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carboximidamide;N'-hydroxy-6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]-4-oxo-1H-pyridazine-3-carboximidamide;4-[(4-methoxyphenyl)methoxy]-6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile;5-(4-methylphenyl)-1,3-oxazol-2-amine?

The canonical SMILES for 6-chloro-4-[(4-methoxyphenyl)methoxy]pyridazine-3-carbonitrile;4,6-dichloropyridazine-3-carbonitrile;N'-hydroxy-4-[(4-methoxyphenyl)methoxy]-6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carboximidamide;N'-hydroxy-6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]-4-oxo-1H-pyridazine-3-carboximidamide;4-[(4-methoxyphenyl)methoxy]-6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile;5-(4-methylphenyl)-1,3-oxazol-2-amine is COc1ccc(COc2cc(Cl)nnc2C#N)cc1.COc1ccc(COc2cc(Nc3ncc(-c4ccc(C)cc4)o3)nnc2/C(N)=N/O)cc1.COc1ccc(COc2cc(Nc3ncc(-c4ccc(C)cc4)o3)nnc2C#N)cc1.Cc1ccc(-c2cnc(N)o2)cc1.Cc1ccc(-c2cnc(Nc3cc(=O)c(/C(N)=N/O)n[nH]3)o2)cc1.N#Cc1nnc(Cl)cc1Cl.

What is the InChIKey of 6-chloro-4-[(4-methoxyphenyl)methoxy]pyridazine-3-carbonitrile;4,6-dichloropyridazine-3-carbonitrile;N'-hydroxy-4-[(4-methoxyphenyl)methoxy]-6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carboximidamide;N'-hydroxy-6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]-4-oxo-1H-pyridazine-3-carboximidamide;4-[(4-methoxyphenyl)methoxy]-6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile;5-(4-methylphenyl)-1,3-oxazol-2-amine?

The InChIKey is OWAPKALUZXXUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O4.C23H19N5O3.C15H14N6O3.C13H10ClN3O2.C10H10N2O.C5HCl2N3/c1-14-3-7-16(8-4-14)19-12-25-23(33-19)26-20-11-18(21(28-27-20)22(24)29-30)32-13-15-5-9-17(31-2)10-6-15;1-15-3-7-17(8-4-15)21-13-25-23(31-21)26-22-11-20(19(12-24)27-28-22)30-14-16-5-9-18(29-2)10-6-16;1-8-2-4-9(5-3-8)11-7-17-15(24-11)18-12-6-10(22)13(20-19-12)14(16)21-23;1-18-10-4-2-9(3-5-10)8-19-12-6-13(14)17-16-11(12)7-15;1-7-2-4-8(5-3-7)9-6-12-10(11)13-9;6-3-1-5(7)10-9-4(3)2-8/h3-12,30H,13H2,1-2H3,(H2,24,29)(H,25,26,27);3-11,13H,14H2,1-2H3,(H,25,26,28);2-7,23H,1H3,(H2,16,21)(H2,17,18,19,22);2-6H,8H2,1H3;2-6H,1H3,(H2,11,12);1H.

What are the key properties of 6-chloro-4-[(4-methoxyphenyl)methoxy]pyridazine-3-carbonitrile;4,6-dichloropyridazine-3-carbonitrile;N'-hydroxy-4-[(4-methoxyphenyl)methoxy]-6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carboximidamide;N'-hydroxy-6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]-4-oxo-1H-pyridazine-3-carboximidamide;4-[(4-methoxyphenyl)methoxy]-6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile;5-(4-methylphenyl)-1,3-oxazol-2-amine?

6-chloro-4-[(4-methoxyphenyl)methoxy]pyridazine-3-carbonitrile;4,6-dichloropyridazine-3-carbonitrile;N'-hydroxy-4-[(4-methoxyphenyl)methoxy]-6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carboximidamide;N'-hydroxy-6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]-4-oxo-1H-pyridazine-3-carboximidamide;4-[(4-methoxyphenyl)methoxy]-6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile;5-(4-methylphenyl)-1,3-oxazol-2-amine has a molecular weight of 1810.11 g/mol, XLogP of 16.56, 24 rotatable bonds, 9 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-4-[(4-methoxyphenyl)methoxy]pyridazine-3-carbonitrile;4,6-dichloropyridazine-3-carbonitrile;N'-hydroxy-4-[(4-methoxyphenyl)methoxy]-6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carboximidamide;N'-hydroxy-6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]-4-oxo-1H-pyridazine-3-carboximidamide;4-[(4-methoxyphenyl)methoxy]-6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile;5-(4-methylphenyl)-1,3-oxazol-2-amine is sourced from PubChem (CID 172947016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).