5-(4-chloro-3-fluorophenyl)-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;5-[2-fluoro-4-(trifluoromethyl)phenyl]-6-methoxy-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;6-methoxy-3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[3-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethyl)phenyl]-1,2-benzoxazole

C116H76ClF17N18O17 — CID 158711364

About 5-(4-chloro-3-fluorophenyl)-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;5-[2-fluoro-4-(trifluoromethyl)phenyl]-6-methoxy-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;6-methoxy-3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[3-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethyl)phenyl]-1,2-benzoxazole

5-(4-chloro-3-fluorophenyl)-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;5-[2-fluoro-4-(trifluoromethyl)phenyl]-6-methoxy-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;6-methoxy-3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[3-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethyl)phenyl]-1,2-benzoxazole (PubChem CID 158711364) has the molecular formula C116H76ClF17N18O17 and a molecular weight of 2352.41 g/mol. Its IUPAC name is 5-(4-chloro-3-fluorophenyl)-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;5-[2-fluoro-4-(trifluoromethyl)phenyl]-6-methoxy-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;6-methoxy-3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[3-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethyl)phenyl]-1,2-benzoxazole.

Molecular Properties

• Compound Name: 5-(4-chloro-3-fluorophenyl)-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;5-[2-fluoro-4-(trifluoromethyl)phenyl]-6-methoxy-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;6-methoxy-3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[3-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethyl)phenyl]-1,2-benzoxazole
• PubChem CID: 158711364
• Molecular Formula: C116H76ClF17N18O17
• Molecular Weight: 2352.41 g/mol
• Exact Mass: 2350.51
• IUPAC Name: 5-(4-chloro-3-fluorophenyl)-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;5-[2-fluoro-4-(trifluoromethyl)phenyl]-6-methoxy-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;6-methoxy-3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[3-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethyl)phenyl]-1,2-benzoxazole
• SMILES: COc1cc2onc(OCc3ncccn3)c2cc1-c1ccc(C(F)(F)F)cc1F.COc1cc2onc(OCc3ncccn3)c2cc1-c1ccc(OC(F)(F)F)cc1.Cc1cc(-c2ccc3onc(OCc4ncccn4)c3c2)ccc1OC(F)(F)F.FC(F)(F)Oc1cccc(-c2ccc3onc(OCc4ncccn4)c3c2)c1.FC(F)(F)c1ccc(-c2ccc3onc(OCc4ncccn4)c3c2)cc1.Fc1cc(-c2ccc3onc(OCc4ncccn4)c3c2)ccc1Cl
• InChI: InChI=1S/C20H13F4N3O3.C20H14F3N3O4.C20H14F3N3O3.C19H12F3N3O3.C19H12F3N3O2.C18H11ClFN3O2/c1-28-16-9-17-14(19(27-30-17)29-10-18-25-5-2-6-26-18)8-13(16)12-4-3-11(7-15(12)21)20(22,23)24;1-27-16-10-17-15(19(26-30-17)28-11-18-24-7-2-8-25-18)9-14(16)12-3-5-13(6-4-12)29-20(21,22)23;1-12-9-13(3-5-16(12)28-20(21,22)23)14-4-6-17-15(10-14)19(26-29-17)27-11-18-24-7-2-8-25-18;20-19(21,22)27-14-4-1-3-12(9-14)13-5-6-16-15(10-13)18(25-28-16)26-11-17-23-7-2-8-24-17;20-19(21,22)14-5-2-12(3-6-14)13-4-7-16-15(10-13)18(25-27-16)26-11-17-23-8-1-9-24-17;19-14-4-2-12(9-15(14)20)11-3-5-16-13(8-11)18(23-25-16)24-10-17-21-6-1-7-22-17/h2-9H,10H2,1H3;2-10H,11H2,1H3;2-10H,11H2,1H3;1-10H,11H2;1-10H,11H2;1-9H,10H2
• InChIKey: IITMKROQSFPSJN-UHFFFAOYSA-N
• XLogP: 29.17
• TPSA: 412.39 Ų
• H-Bond Acceptors: 35
• Rotatable Bonds: 29
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2352.41
LogP ≤ 5	29.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-3-fluorophenyl)-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;5-[2-fluoro-4-(trifluoromethyl)phenyl]-6-methoxy-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;6-methoxy-3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[3-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethyl)phenyl]-1,2-benzoxazole?

The IUPAC name of 5-(4-chloro-3-fluorophenyl)-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;5-[2-fluoro-4-(trifluoromethyl)phenyl]-6-methoxy-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;6-methoxy-3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[3-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethyl)phenyl]-1,2-benzoxazole (CID 158711364) is 5-(4-chloro-3-fluorophenyl)-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;5-[2-fluoro-4-(trifluoromethyl)phenyl]-6-methoxy-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;6-methoxy-3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[3-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethyl)phenyl]-1,2-benzoxazole.

What is the SMILES notation for 5-(4-chloro-3-fluorophenyl)-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;5-[2-fluoro-4-(trifluoromethyl)phenyl]-6-methoxy-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;6-methoxy-3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[3-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethyl)phenyl]-1,2-benzoxazole?

The canonical SMILES for 5-(4-chloro-3-fluorophenyl)-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;5-[2-fluoro-4-(trifluoromethyl)phenyl]-6-methoxy-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;6-methoxy-3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[3-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethyl)phenyl]-1,2-benzoxazole is COc1cc2onc(OCc3ncccn3)c2cc1-c1ccc(C(F)(F)F)cc1F.COc1cc2onc(OCc3ncccn3)c2cc1-c1ccc(OC(F)(F)F)cc1.Cc1cc(-c2ccc3onc(OCc4ncccn4)c3c2)ccc1OC(F)(F)F.FC(F)(F)Oc1cccc(-c2ccc3onc(OCc4ncccn4)c3c2)c1.FC(F)(F)c1ccc(-c2ccc3onc(OCc4ncccn4)c3c2)cc1.Fc1cc(-c2ccc3onc(OCc4ncccn4)c3c2)ccc1Cl.

What is the InChIKey of 5-(4-chloro-3-fluorophenyl)-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;5-[2-fluoro-4-(trifluoromethyl)phenyl]-6-methoxy-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;6-methoxy-3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[3-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethyl)phenyl]-1,2-benzoxazole?

The InChIKey is IITMKROQSFPSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F4N3O3.C20H14F3N3O4.C20H14F3N3O3.C19H12F3N3O3.C19H12F3N3O2.C18H11ClFN3O2/c1-28-16-9-17-14(19(27-30-17)29-10-18-25-5-2-6-26-18)8-13(16)12-4-3-11(7-15(12)21)20(22,23)24;1-27-16-10-17-15(19(26-30-17)28-11-18-24-7-2-8-25-18)9-14(16)12-3-5-13(6-4-12)29-20(21,22)23;1-12-9-13(3-5-16(12)28-20(21,22)23)14-4-6-17-15(10-14)19(26-29-17)27-11-18-24-7-2-8-25-18;20-19(21,22)27-14-4-1-3-12(9-14)13-5-6-16-15(10-13)18(25-28-16)26-11-17-23-7-2-8-24-17;20-19(21,22)14-5-2-12(3-6-14)13-4-7-16-15(10-13)18(25-27-16)26-11-17-23-8-1-9-24-17;19-14-4-2-12(9-15(14)20)11-3-5-16-13(8-11)18(23-25-16)24-10-17-21-6-1-7-22-17/h2-9H,10H2,1H3;2-10H,11H2,1H3;2-10H,11H2,1H3;1-10H,11H2;1-10H,11H2;1-9H,10H2.

What are the key properties of 5-(4-chloro-3-fluorophenyl)-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;5-[2-fluoro-4-(trifluoromethyl)phenyl]-6-methoxy-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;6-methoxy-3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[3-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethyl)phenyl]-1,2-benzoxazole?

5-(4-chloro-3-fluorophenyl)-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;5-[2-fluoro-4-(trifluoromethyl)phenyl]-6-methoxy-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;6-methoxy-3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[3-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethyl)phenyl]-1,2-benzoxazole has a molecular weight of 2352.41 g/mol, XLogP of 29.17, 29 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-chloro-3-fluorophenyl)-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;5-[2-fluoro-4-(trifluoromethyl)phenyl]-6-methoxy-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;6-methoxy-3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[3-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethyl)phenyl]-1,2-benzoxazole is sourced from PubChem (CID 158711364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).