3-[3-[5-bromo-4-[(4-methoxyphenyl)methoxy]pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole;2-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-4-[(4-methoxyphenyl)methoxy]pyrimidin-5-yl]-1,3-oxazole;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrimidin-6-one

C73H53BrF3N17O10 — CID 157385414

About 3-[3-[5-bromo-4-[(4-methoxyphenyl)methoxy]pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole;2-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-4-[(4-methoxyphenyl)methoxy]pyrimidin-5-yl]-1,3-oxazole;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrimidin-6-one

3-[3-[5-bromo-4-[(4-methoxyphenyl)methoxy]pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole;2-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-4-[(4-methoxyphenyl)methoxy]pyrimidin-5-yl]-1,3-oxazole;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrimidin-6-one (PubChem CID 157385414) has the molecular formula C73H53BrF3N17O10 and a molecular weight of 1465.23 g/mol. Its IUPAC name is 3-[3-[5-bromo-4-[(4-methoxyphenyl)methoxy]pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole;2-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-4-[(4-methoxyphenyl)methoxy]pyrimidin-5-yl]-1,3-oxazole;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

• Compound Name: 3-[3-[5-bromo-4-[(4-methoxyphenyl)methoxy]pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole;2-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-4-[(4-methoxyphenyl)methoxy]pyrimidin-5-yl]-1,3-oxazole;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrimidin-6-one
• PubChem CID: 157385414
• Molecular Formula: C73H53BrF3N17O10
• Molecular Weight: 1465.23 g/mol
• Exact Mass: 1463.33
• IUPAC Name: 3-[3-[5-bromo-4-[(4-methoxyphenyl)methoxy]pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole;2-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-4-[(4-methoxyphenyl)methoxy]pyrimidin-5-yl]-1,3-oxazole;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrimidin-6-one
• SMILES: COc1ccc(COc2nc(-c3cc(-c4ccon4)n(Cc4ccccc4F)n3)ncc2-c2ncco2)cc1.COc1ccc(COc2nc(-c3cc(-c4ccon4)n(Cc4ccccc4F)n3)ncc2Br)cc1.O=c1[nH]c(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1-c1ncco1
• InChI: InChI=1S/C28H21FN6O4.C25H19BrFN5O3.C20H13FN6O3/c1-36-20-8-6-18(7-9-20)17-38-28-21(27-30-11-13-37-27)15-31-26(32-28)24-14-25(23-10-12-39-34-23)35(33-24)16-19-4-2-3-5-22(19)29;1-33-18-8-6-16(7-9-18)15-34-25-19(26)13-28-24(29-25)22-12-23(21-10-11-35-31-21)32(30-22)14-17-4-2-3-5-20(17)27;21-14-4-2-1-3-12(14)11-27-17(15-5-7-30-26-15)9-16(25-27)18-23-10-13(19(28)24-18)20-22-6-8-29-20/h2-15H,16-17H2,1H3;2-13H,14-15H2,1H3;1-10H,11H2,(H,23,24,28)
• InChIKey: BLJIXCNPKCGTAM-UHFFFAOYSA-N
• XLogP: 14.09
• TPSA: 317.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 26
• Rotatable Bonds: 22
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1465.23
LogP ≤ 5	14.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 3-[3-[5-bromo-4-[(4-methoxyphenyl)methoxy]pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole;2-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-4-[(4-methoxyphenyl)methoxy]pyrimidin-5-yl]-1,3-oxazole;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrimidin-6-one?

The IUPAC name of 3-[3-[5-bromo-4-[(4-methoxyphenyl)methoxy]pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole;2-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-4-[(4-methoxyphenyl)methoxy]pyrimidin-5-yl]-1,3-oxazole;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrimidin-6-one (CID 157385414) is 3-[3-[5-bromo-4-[(4-methoxyphenyl)methoxy]pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole;2-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-4-[(4-methoxyphenyl)methoxy]pyrimidin-5-yl]-1,3-oxazole;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrimidin-6-one.

What is the SMILES notation for 3-[3-[5-bromo-4-[(4-methoxyphenyl)methoxy]pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole;2-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-4-[(4-methoxyphenyl)methoxy]pyrimidin-5-yl]-1,3-oxazole;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrimidin-6-one?

The canonical SMILES for 3-[3-[5-bromo-4-[(4-methoxyphenyl)methoxy]pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole;2-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-4-[(4-methoxyphenyl)methoxy]pyrimidin-5-yl]-1,3-oxazole;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrimidin-6-one is COc1ccc(COc2nc(-c3cc(-c4ccon4)n(Cc4ccccc4F)n3)ncc2-c2ncco2)cc1.COc1ccc(COc2nc(-c3cc(-c4ccon4)n(Cc4ccccc4F)n3)ncc2Br)cc1.O=c1[nH]c(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1-c1ncco1.

What is the InChIKey of 3-[3-[5-bromo-4-[(4-methoxyphenyl)methoxy]pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole;2-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-4-[(4-methoxyphenyl)methoxy]pyrimidin-5-yl]-1,3-oxazole;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrimidin-6-one?

The InChIKey is BLJIXCNPKCGTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21FN6O4.C25H19BrFN5O3.C20H13FN6O3/c1-36-20-8-6-18(7-9-20)17-38-28-21(27-30-11-13-37-27)15-31-26(32-28)24-14-25(23-10-12-39-34-23)35(33-24)16-19-4-2-3-5-22(19)29;1-33-18-8-6-16(7-9-18)15-34-25-19(26)13-28-24(29-25)22-12-23(21-10-11-35-31-21)32(30-22)14-17-4-2-3-5-20(17)27;21-14-4-2-1-3-12(14)11-27-17(15-5-7-30-26-15)9-16(25-27)18-23-10-13(19(28)24-18)20-22-6-8-29-20/h2-15H,16-17H2,1H3;2-13H,14-15H2,1H3;1-10H,11H2,(H,23,24,28).

What are the key properties of 3-[3-[5-bromo-4-[(4-methoxyphenyl)methoxy]pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole;2-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-4-[(4-methoxyphenyl)methoxy]pyrimidin-5-yl]-1,3-oxazole;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrimidin-6-one?

3-[3-[5-bromo-4-[(4-methoxyphenyl)methoxy]pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole;2-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-4-[(4-methoxyphenyl)methoxy]pyrimidin-5-yl]-1,3-oxazole;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrimidin-6-one has a molecular weight of 1465.23 g/mol, XLogP of 14.09, 22 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[5-bromo-4-[(4-methoxyphenyl)methoxy]pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole;2-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-4-[(4-methoxyphenyl)methoxy]pyrimidin-5-yl]-1,3-oxazole;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 157385414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).