4-(2,3-dichlorophenyl)-3-methyl-5-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,2-oxazole;4-(2,3-dichlorophenyl)-5-(7H-pyrrolo[2,3-c]pyridazin-5-yl)-1,2-oxazole;4-(2,3-dichlorophenyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,2-oxazole;4-(2,3-difluorophenyl)-5-(7H-pyrrolo[2,3-c]pyridazin-5-yl)-1,2-oxazole;4-(2,3-difluorophenyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,2-oxazole;5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-7H-pyrrolo[2,3-d]pyrimidine

C89H49Cl6F6N27O5 — CID 158297887

About 4-(2,3-dichlorophenyl)-3-methyl-5-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,2-oxazole;4-(2,3-dichlorophenyl)-5-(7H-pyrrolo[2,3-c]pyridazin-5-yl)-1,2-oxazole;4-(2,3-dichlorophenyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,2-oxazole;4-(2,3-difluorophenyl)-5-(7H-pyrrolo[2,3-c]pyridazin-5-yl)-1,2-oxazole;4-(2,3-difluorophenyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,2-oxazole;5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-7H-pyrrolo[2,3-d]pyrimidine

4-(2,3-dichlorophenyl)-3-methyl-5-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,2-oxazole;4-(2,3-dichlorophenyl)-5-(7H-pyrrolo[2,3-c]pyridazin-5-yl)-1,2-oxazole;4-(2,3-dichlorophenyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,2-oxazole;4-(2,3-difluorophenyl)-5-(7H-pyrrolo[2,3-c]pyridazin-5-yl)-1,2-oxazole;4-(2,3-difluorophenyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,2-oxazole;5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 158297887) has the molecular formula C89H49Cl6F6N27O5 and a molecular weight of 1903.26 g/mol. Its IUPAC name is 4-(2,3-dichlorophenyl)-3-methyl-5-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,2-oxazole;4-(2,3-dichlorophenyl)-5-(7H-pyrrolo[2,3-c]pyridazin-5-yl)-1,2-oxazole;4-(2,3-dichlorophenyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,2-oxazole;4-(2,3-difluorophenyl)-5-(7H-pyrrolo[2,3-c]pyridazin-5-yl)-1,2-oxazole;4-(2,3-difluorophenyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,2-oxazole;5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

• Compound Name: 4-(2,3-dichlorophenyl)-3-methyl-5-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,2-oxazole;4-(2,3-dichlorophenyl)-5-(7H-pyrrolo[2,3-c]pyridazin-5-yl)-1,2-oxazole;4-(2,3-dichlorophenyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,2-oxazole;4-(2,3-difluorophenyl)-5-(7H-pyrrolo[2,3-c]pyridazin-5-yl)-1,2-oxazole;4-(2,3-difluorophenyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,2-oxazole;5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-7H-pyrrolo[2,3-d]pyrimidine
• PubChem CID: 158297887
• Molecular Formula: C89H49Cl6F6N27O5
• Molecular Weight: 1903.26 g/mol
• Exact Mass: 1899.24
• IUPAC Name: 4-(2,3-dichlorophenyl)-3-methyl-5-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,2-oxazole;4-(2,3-dichlorophenyl)-5-(7H-pyrrolo[2,3-c]pyridazin-5-yl)-1,2-oxazole;4-(2,3-dichlorophenyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,2-oxazole;4-(2,3-difluorophenyl)-5-(7H-pyrrolo[2,3-c]pyridazin-5-yl)-1,2-oxazole;4-(2,3-difluorophenyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,2-oxazole;5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-7H-pyrrolo[2,3-d]pyrimidine
• SMILES: Cc1noc(-c2c[nH]c3nccnc23)c1-c1cccc(Cl)c1Cl.Clc1cccc(-c2cnoc2-c2c[nH]c3ncncc23)c1Cl.Clc1cccc(-c2cnoc2-c2c[nH]c3nnccc23)c1Cl.Fc1cccc(-c2cnoc2-c2c[nH]c3ncncc23)c1F.Fc1cccc(-c2cnoc2-c2c[nH]c3nnccc23)c1F.Fc1cccc(-n2nnnc2-c2c[nH]c3ncncc23)c1F
• InChI: InChI=1S/C16H10Cl2N4O.2C15H8Cl2N4O.2C15H8F2N4O.C13H7F2N7/c1-8-12(9-3-2-4-11(17)13(9)18)15(23-22-8)10-7-21-16-14(10)19-5-6-20-16;16-12-3-1-2-8(13(12)17)10-6-21-22-14(10)9-5-19-15-11(9)4-18-7-20-15;16-12-3-1-2-8(13(12)17)11-7-20-22-14(11)10-6-18-15-9(10)4-5-19-21-15;16-12-3-1-2-8(13(12)17)10-6-21-22-14(10)9-5-19-15-11(9)4-18-7-20-15;16-12-3-1-2-8(13(12)17)11-7-20-22-14(11)10-6-18-15-9(10)4-5-19-21-15;14-9-2-1-3-10(11(9)15)22-13(19-20-21-22)8-5-17-12-7(8)4-16-6-18-12/h2-7H,1H3,(H,20,21);1-7H,(H,18,19,20);1-7H,(H,18,21);1-7H,(H,18,19,20);1-7H,(H,18,21);1-6H,(H,16,17,18)
• InChIKey: GMDDHODQVIUTAP-UHFFFAOYSA-N
• XLogP: 23.06
• TPSA: 423.17 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 12
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1903.26
LogP ≤ 5	23.06
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichlorophenyl)-3-methyl-5-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,2-oxazole;4-(2,3-dichlorophenyl)-5-(7H-pyrrolo[2,3-c]pyridazin-5-yl)-1,2-oxazole;4-(2,3-dichlorophenyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,2-oxazole;4-(2,3-difluorophenyl)-5-(7H-pyrrolo[2,3-c]pyridazin-5-yl)-1,2-oxazole;4-(2,3-difluorophenyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,2-oxazole;5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-7H-pyrrolo[2,3-d]pyrimidine?

The IUPAC name of 4-(2,3-dichlorophenyl)-3-methyl-5-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,2-oxazole;4-(2,3-dichlorophenyl)-5-(7H-pyrrolo[2,3-c]pyridazin-5-yl)-1,2-oxazole;4-(2,3-dichlorophenyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,2-oxazole;4-(2,3-difluorophenyl)-5-(7H-pyrrolo[2,3-c]pyridazin-5-yl)-1,2-oxazole;4-(2,3-difluorophenyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,2-oxazole;5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-7H-pyrrolo[2,3-d]pyrimidine (CID 158297887) is 4-(2,3-dichlorophenyl)-3-methyl-5-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,2-oxazole;4-(2,3-dichlorophenyl)-5-(7H-pyrrolo[2,3-c]pyridazin-5-yl)-1,2-oxazole;4-(2,3-dichlorophenyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,2-oxazole;4-(2,3-difluorophenyl)-5-(7H-pyrrolo[2,3-c]pyridazin-5-yl)-1,2-oxazole;4-(2,3-difluorophenyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,2-oxazole;5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-7H-pyrrolo[2,3-d]pyrimidine.

What is the SMILES notation for 4-(2,3-dichlorophenyl)-3-methyl-5-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,2-oxazole;4-(2,3-dichlorophenyl)-5-(7H-pyrrolo[2,3-c]pyridazin-5-yl)-1,2-oxazole;4-(2,3-dichlorophenyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,2-oxazole;4-(2,3-difluorophenyl)-5-(7H-pyrrolo[2,3-c]pyridazin-5-yl)-1,2-oxazole;4-(2,3-difluorophenyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,2-oxazole;5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-7H-pyrrolo[2,3-d]pyrimidine?

The canonical SMILES for 4-(2,3-dichlorophenyl)-3-methyl-5-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,2-oxazole;4-(2,3-dichlorophenyl)-5-(7H-pyrrolo[2,3-c]pyridazin-5-yl)-1,2-oxazole;4-(2,3-dichlorophenyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,2-oxazole;4-(2,3-difluorophenyl)-5-(7H-pyrrolo[2,3-c]pyridazin-5-yl)-1,2-oxazole;4-(2,3-difluorophenyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,2-oxazole;5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-7H-pyrrolo[2,3-d]pyrimidine is Cc1noc(-c2c[nH]c3nccnc23)c1-c1cccc(Cl)c1Cl.Clc1cccc(-c2cnoc2-c2c[nH]c3ncncc23)c1Cl.Clc1cccc(-c2cnoc2-c2c[nH]c3nnccc23)c1Cl.Fc1cccc(-c2cnoc2-c2c[nH]c3ncncc23)c1F.Fc1cccc(-c2cnoc2-c2c[nH]c3nnccc23)c1F.Fc1cccc(-n2nnnc2-c2c[nH]c3ncncc23)c1F.

What is the InChIKey of 4-(2,3-dichlorophenyl)-3-methyl-5-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,2-oxazole;4-(2,3-dichlorophenyl)-5-(7H-pyrrolo[2,3-c]pyridazin-5-yl)-1,2-oxazole;4-(2,3-dichlorophenyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,2-oxazole;4-(2,3-difluorophenyl)-5-(7H-pyrrolo[2,3-c]pyridazin-5-yl)-1,2-oxazole;4-(2,3-difluorophenyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,2-oxazole;5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-7H-pyrrolo[2,3-d]pyrimidine?

The InChIKey is GMDDHODQVIUTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N4O.2C15H8Cl2N4O.2C15H8F2N4O.C13H7F2N7/c1-8-12(9-3-2-4-11(17)13(9)18)15(23-22-8)10-7-21-16-14(10)19-5-6-20-16;16-12-3-1-2-8(13(12)17)10-6-21-22-14(10)9-5-19-15-11(9)4-18-7-20-15;16-12-3-1-2-8(13(12)17)11-7-20-22-14(11)10-6-18-15-9(10)4-5-19-21-15;16-12-3-1-2-8(13(12)17)10-6-21-22-14(10)9-5-19-15-11(9)4-18-7-20-15;16-12-3-1-2-8(13(12)17)11-7-20-22-14(11)10-6-18-15-9(10)4-5-19-21-15;14-9-2-1-3-10(11(9)15)22-13(19-20-21-22)8-5-17-12-7(8)4-16-6-18-12/h2-7H,1H3,(H,20,21);1-7H,(H,18,19,20);1-7H,(H,18,21);1-7H,(H,18,19,20);1-7H,(H,18,21);1-6H,(H,16,17,18).

What are the key properties of 4-(2,3-dichlorophenyl)-3-methyl-5-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,2-oxazole;4-(2,3-dichlorophenyl)-5-(7H-pyrrolo[2,3-c]pyridazin-5-yl)-1,2-oxazole;4-(2,3-dichlorophenyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,2-oxazole;4-(2,3-difluorophenyl)-5-(7H-pyrrolo[2,3-c]pyridazin-5-yl)-1,2-oxazole;4-(2,3-difluorophenyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,2-oxazole;5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-7H-pyrrolo[2,3-d]pyrimidine?

4-(2,3-dichlorophenyl)-3-methyl-5-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,2-oxazole;4-(2,3-dichlorophenyl)-5-(7H-pyrrolo[2,3-c]pyridazin-5-yl)-1,2-oxazole;4-(2,3-dichlorophenyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,2-oxazole;4-(2,3-difluorophenyl)-5-(7H-pyrrolo[2,3-c]pyridazin-5-yl)-1,2-oxazole;4-(2,3-difluorophenyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,2-oxazole;5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 1903.26 g/mol, XLogP of 23.06, 12 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,3-dichlorophenyl)-3-methyl-5-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,2-oxazole;4-(2,3-dichlorophenyl)-5-(7H-pyrrolo[2,3-c]pyridazin-5-yl)-1,2-oxazole;4-(2,3-dichlorophenyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,2-oxazole;4-(2,3-difluorophenyl)-5-(7H-pyrrolo[2,3-c]pyridazin-5-yl)-1,2-oxazole;4-(2,3-difluorophenyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,2-oxazole;5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 158297887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).