5-(6-cyclopropyl-3-pyridinyl)-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-methoxy-3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-methyl-3-(pyrimidin-2-ylmethoxy)-5-[3-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2-benzoxazole

C100H73F12N17O15 — CID 159129340

About 5-(6-cyclopropyl-3-pyridinyl)-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-methoxy-3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-methyl-3-(pyrimidin-2-ylmethoxy)-5-[3-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2-benzoxazole

5-(6-cyclopropyl-3-pyridinyl)-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-methoxy-3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-methyl-3-(pyrimidin-2-ylmethoxy)-5-[3-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2-benzoxazole (PubChem CID 159129340) has the molecular formula C100H73F12N17O15 and a molecular weight of 1980.76 g/mol. Its IUPAC name is 5-(6-cyclopropyl-3-pyridinyl)-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-methoxy-3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-methyl-3-(pyrimidin-2-ylmethoxy)-5-[3-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2-benzoxazole.

Molecular Properties

• Compound Name: 5-(6-cyclopropyl-3-pyridinyl)-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-methoxy-3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-methyl-3-(pyrimidin-2-ylmethoxy)-5-[3-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2-benzoxazole
• PubChem CID: 159129340
• Molecular Formula: C100H73F12N17O15
• Molecular Weight: 1980.76 g/mol
• Exact Mass: 1979.53
• IUPAC Name: 5-(6-cyclopropyl-3-pyridinyl)-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-methoxy-3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-methyl-3-(pyrimidin-2-ylmethoxy)-5-[3-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2-benzoxazole
• SMILES: COc1cc(-c2ccc(OC(F)(F)F)cc2)cc2c(OCc3ncccn3)noc12.Cc1cc(-c2cc(C)c3onc(OCc4ncccn4)c3c2)ccc1OC(F)(F)F.Cc1cc(-c2cccc(OC(F)(F)F)c2)cc2c(OCc3ncccn3)noc12.FC(F)(F)COc1ccc(-c2ccc3onc(OCc4ncccn4)c3c2)cn1.c1cnc(COc2noc3ccc(-c4ccc(C5CC5)nc4)cc23)nc1
• InChI: InChI=1S/C21H16F3N3O3.C20H14F3N3O4.C20H14F3N3O3.C20H16N4O2.C19H13F3N4O3/c1-12-8-14(4-5-17(12)29-21(22,23)24)15-9-13(2)19-16(10-15)20(27-30-19)28-11-18-25-6-3-7-26-18;1-27-16-10-13(12-3-5-14(6-4-12)29-20(21,22)23)9-15-18(16)30-26-19(15)28-11-17-24-7-2-8-25-17;1-12-8-14(13-4-2-5-15(9-13)28-20(21,22)23)10-16-18(12)29-26-19(16)27-11-17-24-6-3-7-25-17;1-8-21-19(22-9-1)12-25-20-16-10-14(5-7-18(16)26-24-20)15-4-6-17(23-11-15)13-2-3-13;20-19(21,22)11-28-17-5-3-13(9-25-17)12-2-4-15-14(8-12)18(26-29-15)27-10-16-23-6-1-7-24-16/h3-10H,11H2,1-2H3;2-10H,11H2,1H3;2-10H,11H2,1H3;1,4-11,13H,2-3,12H2;1-9H,10-11H2
• InChIKey: KGRIYCBXNFUVOL-UHFFFAOYSA-N
• XLogP: 23.56
• TPSA: 377.13 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 27
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1980.76
LogP ≤ 5	23.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 5-(6-cyclopropyl-3-pyridinyl)-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-methoxy-3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-methyl-3-(pyrimidin-2-ylmethoxy)-5-[3-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2-benzoxazole?

The IUPAC name of 5-(6-cyclopropyl-3-pyridinyl)-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-methoxy-3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-methyl-3-(pyrimidin-2-ylmethoxy)-5-[3-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2-benzoxazole (CID 159129340) is 5-(6-cyclopropyl-3-pyridinyl)-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-methoxy-3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-methyl-3-(pyrimidin-2-ylmethoxy)-5-[3-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2-benzoxazole.

What is the SMILES notation for 5-(6-cyclopropyl-3-pyridinyl)-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-methoxy-3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-methyl-3-(pyrimidin-2-ylmethoxy)-5-[3-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2-benzoxazole?

The canonical SMILES for 5-(6-cyclopropyl-3-pyridinyl)-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-methoxy-3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-methyl-3-(pyrimidin-2-ylmethoxy)-5-[3-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2-benzoxazole is COc1cc(-c2ccc(OC(F)(F)F)cc2)cc2c(OCc3ncccn3)noc12.Cc1cc(-c2cc(C)c3onc(OCc4ncccn4)c3c2)ccc1OC(F)(F)F.Cc1cc(-c2cccc(OC(F)(F)F)c2)cc2c(OCc3ncccn3)noc12.FC(F)(F)COc1ccc(-c2ccc3onc(OCc4ncccn4)c3c2)cn1.c1cnc(COc2noc3ccc(-c4ccc(C5CC5)nc4)cc23)nc1.

What is the InChIKey of 5-(6-cyclopropyl-3-pyridinyl)-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-methoxy-3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-methyl-3-(pyrimidin-2-ylmethoxy)-5-[3-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2-benzoxazole?

The InChIKey is KGRIYCBXNFUVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O3.C20H14F3N3O4.C20H14F3N3O3.C20H16N4O2.C19H13F3N4O3/c1-12-8-14(4-5-17(12)29-21(22,23)24)15-9-13(2)19-16(10-15)20(27-30-19)28-11-18-25-6-3-7-26-18;1-27-16-10-13(12-3-5-14(6-4-12)29-20(21,22)23)9-15-18(16)30-26-19(15)28-11-17-24-7-2-8-25-17;1-12-8-14(13-4-2-5-15(9-13)28-20(21,22)23)10-16-18(12)29-26-19(16)27-11-17-24-6-3-7-25-17;1-8-21-19(22-9-1)12-25-20-16-10-14(5-7-18(16)26-24-20)15-4-6-17(23-11-15)13-2-3-13;20-19(21,22)11-28-17-5-3-13(9-25-17)12-2-4-15-14(8-12)18(26-29-15)27-10-16-23-6-1-7-24-16/h3-10H,11H2,1-2H3;2-10H,11H2,1H3;2-10H,11H2,1H3;1,4-11,13H,2-3,12H2;1-9H,10-11H2.

What are the key properties of 5-(6-cyclopropyl-3-pyridinyl)-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-methoxy-3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-methyl-3-(pyrimidin-2-ylmethoxy)-5-[3-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2-benzoxazole?

5-(6-cyclopropyl-3-pyridinyl)-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-methoxy-3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-methyl-3-(pyrimidin-2-ylmethoxy)-5-[3-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2-benzoxazole has a molecular weight of 1980.76 g/mol, XLogP of 23.56, 27 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(6-cyclopropyl-3-pyridinyl)-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-methoxy-3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-methyl-3-(pyrimidin-2-ylmethoxy)-5-[3-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2-benzoxazole is sourced from PubChem (CID 159129340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).