2-chloro-5-(4-fluorophenyl)-1,3-oxazole;6-chloropyridazine-3-carbonitrile;4-fluorobenzaldehyde;5-(4-fluorophenyl)-1,3-oxazol-2-amine;5-(4-fluorophenyl)-1,3-oxazole;6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridazine-3-carboximidamide;6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile

C67H44Cl2F6N18O7 — CID 172947069

About 2-chloro-5-(4-fluorophenyl)-1,3-oxazole;6-chloropyridazine-3-carbonitrile;4-fluorobenzaldehyde;5-(4-fluorophenyl)-1,3-oxazol-2-amine;5-(4-fluorophenyl)-1,3-oxazole;6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridazine-3-carboximidamide;6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile

2-chloro-5-(4-fluorophenyl)-1,3-oxazole;6-chloropyridazine-3-carbonitrile;4-fluorobenzaldehyde;5-(4-fluorophenyl)-1,3-oxazol-2-amine;5-(4-fluorophenyl)-1,3-oxazole;6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridazine-3-carboximidamide;6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile (PubChem CID 172947069) has the molecular formula C67H44Cl2F6N18O7 and a molecular weight of 1398.10 g/mol. Its IUPAC name is 2-chloro-5-(4-fluorophenyl)-1,3-oxazole;6-chloropyridazine-3-carbonitrile;4-fluorobenzaldehyde;5-(4-fluorophenyl)-1,3-oxazol-2-amine;5-(4-fluorophenyl)-1,3-oxazole;6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridazine-3-carboximidamide;6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile.

Molecular Properties

• Compound Name: 2-chloro-5-(4-fluorophenyl)-1,3-oxazole;6-chloropyridazine-3-carbonitrile;4-fluorobenzaldehyde;5-(4-fluorophenyl)-1,3-oxazol-2-amine;5-(4-fluorophenyl)-1,3-oxazole;6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridazine-3-carboximidamide;6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile
• PubChem CID: 172947069
• Molecular Formula: C67H44Cl2F6N18O7
• Molecular Weight: 1398.10 g/mol
• Exact Mass: 1396.29
• IUPAC Name: 2-chloro-5-(4-fluorophenyl)-1,3-oxazole;6-chloropyridazine-3-carbonitrile;4-fluorobenzaldehyde;5-(4-fluorophenyl)-1,3-oxazol-2-amine;5-(4-fluorophenyl)-1,3-oxazole;6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridazine-3-carboximidamide;6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile
• SMILES: Fc1ccc(-c2cnc(Cl)o2)cc1.Fc1ccc(-c2cnco2)cc1.N#Cc1ccc(Cl)nn1.N#Cc1ccc(Nc2ncc(-c3ccc(F)cc3)o2)nn1.N/C(=N\O)c1ccc(Nc2ncc(-c3ccc(F)cc3)o2)nn1.Nc1ncc(-c2ccc(F)cc2)o1.O=Cc1ccc(F)cc1
• InChI: InChI=1S/C14H11FN6O2.C14H8FN5O.C9H5ClFNO.C9H7FN2O.C9H6FNO.C7H5FO.C5H2ClN3/c15-9-3-1-8(2-4-9)11-7-17-14(23-11)18-12-6-5-10(19-20-12)13(16)21-22;15-10-3-1-9(2-4-10)12-8-17-14(21-12)18-13-6-5-11(7-16)19-20-13;10-9-12-5-8(13-9)6-1-3-7(11)4-2-6;10-7-3-1-6(2-4-7)8-5-12-9(11)13-8;10-8-3-1-7(2-4-8)9-5-11-6-12-9;8-7-3-1-6(5-9)2-4-7;6-5-2-1-4(3-7)8-9-5/h1-7,22H,(H2,16,21)(H,17,18,20);1-6,8H,(H,17,18,20);1-5H;1-5H,(H2,11,12);1-6H;1-5H;1-2H
• InChIKey: PVVYCMGLZHRAFQ-UHFFFAOYSA-N
• XLogP: 15.31
• TPSA: 380.83 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 11
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1398.10
LogP ≤ 5	15.31
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-chloro-5-(4-fluorophenyl)-1,3-oxazole;6-chloropyridazine-3-carbonitrile;4-fluorobenzaldehyde;5-(4-fluorophenyl)-1,3-oxazol-2-amine;5-(4-fluorophenyl)-1,3-oxazole;6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridazine-3-carboximidamide;6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile?

The IUPAC name of 2-chloro-5-(4-fluorophenyl)-1,3-oxazole;6-chloropyridazine-3-carbonitrile;4-fluorobenzaldehyde;5-(4-fluorophenyl)-1,3-oxazol-2-amine;5-(4-fluorophenyl)-1,3-oxazole;6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridazine-3-carboximidamide;6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile (CID 172947069) is 2-chloro-5-(4-fluorophenyl)-1,3-oxazole;6-chloropyridazine-3-carbonitrile;4-fluorobenzaldehyde;5-(4-fluorophenyl)-1,3-oxazol-2-amine;5-(4-fluorophenyl)-1,3-oxazole;6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridazine-3-carboximidamide;6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile.

What is the SMILES notation for 2-chloro-5-(4-fluorophenyl)-1,3-oxazole;6-chloropyridazine-3-carbonitrile;4-fluorobenzaldehyde;5-(4-fluorophenyl)-1,3-oxazol-2-amine;5-(4-fluorophenyl)-1,3-oxazole;6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridazine-3-carboximidamide;6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile?

The canonical SMILES for 2-chloro-5-(4-fluorophenyl)-1,3-oxazole;6-chloropyridazine-3-carbonitrile;4-fluorobenzaldehyde;5-(4-fluorophenyl)-1,3-oxazol-2-amine;5-(4-fluorophenyl)-1,3-oxazole;6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridazine-3-carboximidamide;6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile is Fc1ccc(-c2cnc(Cl)o2)cc1.Fc1ccc(-c2cnco2)cc1.N#Cc1ccc(Cl)nn1.N#Cc1ccc(Nc2ncc(-c3ccc(F)cc3)o2)nn1.N/C(=N\O)c1ccc(Nc2ncc(-c3ccc(F)cc3)o2)nn1.Nc1ncc(-c2ccc(F)cc2)o1.O=Cc1ccc(F)cc1.

What is the InChIKey of 2-chloro-5-(4-fluorophenyl)-1,3-oxazole;6-chloropyridazine-3-carbonitrile;4-fluorobenzaldehyde;5-(4-fluorophenyl)-1,3-oxazol-2-amine;5-(4-fluorophenyl)-1,3-oxazole;6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridazine-3-carboximidamide;6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile?

The InChIKey is PVVYCMGLZHRAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN6O2.C14H8FN5O.C9H5ClFNO.C9H7FN2O.C9H6FNO.C7H5FO.C5H2ClN3/c15-9-3-1-8(2-4-9)11-7-17-14(23-11)18-12-6-5-10(19-20-12)13(16)21-22;15-10-3-1-9(2-4-10)12-8-17-14(21-12)18-13-6-5-11(7-16)19-20-13;10-9-12-5-8(13-9)6-1-3-7(11)4-2-6;10-7-3-1-6(2-4-7)8-5-12-9(11)13-8;10-8-3-1-7(2-4-8)9-5-11-6-12-9;8-7-3-1-6(5-9)2-4-7;6-5-2-1-4(3-7)8-9-5/h1-7,22H,(H2,16,21)(H,17,18,20);1-6,8H,(H,17,18,20);1-5H;1-5H,(H2,11,12);1-6H;1-5H;1-2H.

What are the key properties of 2-chloro-5-(4-fluorophenyl)-1,3-oxazole;6-chloropyridazine-3-carbonitrile;4-fluorobenzaldehyde;5-(4-fluorophenyl)-1,3-oxazol-2-amine;5-(4-fluorophenyl)-1,3-oxazole;6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridazine-3-carboximidamide;6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile?

2-chloro-5-(4-fluorophenyl)-1,3-oxazole;6-chloropyridazine-3-carbonitrile;4-fluorobenzaldehyde;5-(4-fluorophenyl)-1,3-oxazol-2-amine;5-(4-fluorophenyl)-1,3-oxazole;6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridazine-3-carboximidamide;6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile has a molecular weight of 1398.10 g/mol, XLogP of 15.31, 11 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-(4-fluorophenyl)-1,3-oxazole;6-chloropyridazine-3-carbonitrile;4-fluorobenzaldehyde;5-(4-fluorophenyl)-1,3-oxazol-2-amine;5-(4-fluorophenyl)-1,3-oxazole;6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridazine-3-carboximidamide;6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile is sourced from PubChem (CID 172947069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).