3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[2-methyl-4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[3-methyl-4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[4-(trifluoromethyl)phenyl]-1,2-benzoxazole

C103H75F16N15O19 — CID 161316721

About 3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[2-methyl-4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[3-methyl-4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[4-(trifluoromethyl)phenyl]-1,2-benzoxazole

3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[2-methyl-4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[3-methyl-4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[4-(trifluoromethyl)phenyl]-1,2-benzoxazole (PubChem CID 161316721) has the molecular formula C103H75F16N15O19 and a molecular weight of 2130.79 g/mol. Its IUPAC name is 3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[2-methyl-4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[3-methyl-4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[4-(trifluoromethyl)phenyl]-1,2-benzoxazole.

Molecular Properties

• Compound Name: 3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[2-methyl-4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[3-methyl-4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[4-(trifluoromethyl)phenyl]-1,2-benzoxazole
• PubChem CID: 161316721
• Molecular Formula: C103H75F16N15O19
• Molecular Weight: 2130.79 g/mol
• Exact Mass: 2129.51
• IUPAC Name: 3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[2-methyl-4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[3-methyl-4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[4-(trifluoromethyl)phenyl]-1,2-benzoxazole
• SMILES: COc1cc(OC(F)(F)F)ccc1-c1ccc2onc(OCc3nnc(C4CC4)o3)c2c1.Cc1cc(-c2ccc3onc(OCc4nnc(C5CC5)o4)c3c2)ccc1OC(F)(F)F.Cc1cc(OC(F)(F)F)ccc1-c1ccc2onc(OCc3nnc(C4CC4)o3)c2c1.FC(F)(F)c1ccc(-c2ccc3onc(OCc4nnc(C5CC5)o4)c3c2)cc1.Fc1cc(C(F)(F)F)ccc1-c1ccc2onc(OCc3nnc(C4CC4)o3)c2c1
• InChI: InChI=1S/C21H16F3N3O5.2C21H16F3N3O4.C20H13F4N3O3.C20H14F3N3O3/c1-28-17-9-13(31-21(22,23)24)5-6-14(17)12-4-7-16-15(8-12)20(27-32-16)29-10-18-25-26-19(30-18)11-2-3-11;1-11-8-14(30-21(22,23)24)5-6-15(11)13-4-7-17-16(9-13)20(27-31-17)28-10-18-25-26-19(29-18)12-2-3-12;1-11-8-13(4-6-16(11)30-21(22,23)24)14-5-7-17-15(9-14)20(27-31-17)28-10-18-25-26-19(29-18)12-2-3-12;21-15-8-12(20(22,23)24)4-5-13(15)11-3-6-16-14(7-11)19(27-30-16)28-9-17-25-26-18(29-17)10-1-2-10;21-20(22,23)14-6-3-11(4-7-14)13-5-8-16-15(9-13)19(26-29-16)27-10-17-24-25-18(28-17)12-1-2-12/h4-9,11H,2-3,10H2,1H3;2*4-9,12H,2-3,10H2,1H3;3-8,10H,1-2,9H2;3-9,12H,1-2,10H2
• InChIKey: VJPBOBVFWTYTDV-UHFFFAOYSA-N
• XLogP: 27.17
• TPSA: 407.82 Ų
• H-Bond Acceptors: 34
• Rotatable Bonds: 29
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2130.79
LogP ≤ 5	27.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[2-methyl-4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[3-methyl-4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[4-(trifluoromethyl)phenyl]-1,2-benzoxazole?

The IUPAC name of 3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[2-methyl-4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[3-methyl-4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[4-(trifluoromethyl)phenyl]-1,2-benzoxazole (CID 161316721) is 3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[2-methyl-4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[3-methyl-4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[4-(trifluoromethyl)phenyl]-1,2-benzoxazole.

What is the SMILES notation for 3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[2-methyl-4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[3-methyl-4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[4-(trifluoromethyl)phenyl]-1,2-benzoxazole?

The canonical SMILES for 3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[2-methyl-4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[3-methyl-4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[4-(trifluoromethyl)phenyl]-1,2-benzoxazole is COc1cc(OC(F)(F)F)ccc1-c1ccc2onc(OCc3nnc(C4CC4)o3)c2c1.Cc1cc(-c2ccc3onc(OCc4nnc(C5CC5)o4)c3c2)ccc1OC(F)(F)F.Cc1cc(OC(F)(F)F)ccc1-c1ccc2onc(OCc3nnc(C4CC4)o3)c2c1.FC(F)(F)c1ccc(-c2ccc3onc(OCc4nnc(C5CC5)o4)c3c2)cc1.Fc1cc(C(F)(F)F)ccc1-c1ccc2onc(OCc3nnc(C4CC4)o3)c2c1.

What is the InChIKey of 3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[2-methyl-4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[3-methyl-4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[4-(trifluoromethyl)phenyl]-1,2-benzoxazole?

The InChIKey is VJPBOBVFWTYTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O5.2C21H16F3N3O4.C20H13F4N3O3.C20H14F3N3O3/c1-28-17-9-13(31-21(22,23)24)5-6-14(17)12-4-7-16-15(8-12)20(27-32-16)29-10-18-25-26-19(30-18)11-2-3-11;1-11-8-14(30-21(22,23)24)5-6-15(11)13-4-7-17-16(9-13)20(27-31-17)28-10-18-25-26-19(29-18)12-2-3-12;1-11-8-13(4-6-16(11)30-21(22,23)24)14-5-7-17-15(9-14)20(27-31-17)28-10-18-25-26-19(29-18)12-2-3-12;21-15-8-12(20(22,23)24)4-5-13(15)11-3-6-16-14(7-11)19(27-30-16)28-9-17-25-26-18(29-17)10-1-2-10;21-20(22,23)14-6-3-11(4-7-14)13-5-8-16-15(9-13)19(26-29-16)27-10-17-24-25-18(28-17)12-1-2-12/h4-9,11H,2-3,10H2,1H3;2*4-9,12H,2-3,10H2,1H3;3-8,10H,1-2,9H2;3-9,12H,1-2,10H2.

What are the key properties of 3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[2-methyl-4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[3-methyl-4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[4-(trifluoromethyl)phenyl]-1,2-benzoxazole?

3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[2-methyl-4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[3-methyl-4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[4-(trifluoromethyl)phenyl]-1,2-benzoxazole has a molecular weight of 2130.79 g/mol, XLogP of 27.17, 29 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[2-methyl-4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[3-methyl-4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[4-(trifluoromethyl)phenyl]-1,2-benzoxazole is sourced from PubChem (CID 161316721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).