3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-ethyloxetan-3-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-fluoro-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methyl-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(6-methyl-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole

C102H74F16N10O17 — CID 157381293

About 3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-ethyloxetan-3-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-fluoro-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methyl-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(6-methyl-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole

3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-ethyloxetan-3-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-fluoro-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methyl-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(6-methyl-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole (PubChem CID 157381293) has the molecular formula C102H74F16N10O17 and a molecular weight of 2015.73 g/mol. Its IUPAC name is 3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-ethyloxetan-3-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-fluoro-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methyl-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(6-methyl-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole.

Molecular Properties

• Compound Name: 3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-ethyloxetan-3-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-fluoro-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methyl-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(6-methyl-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole
• PubChem CID: 157381293
• Molecular Formula: C102H74F16N10O17
• Molecular Weight: 2015.73 g/mol
• Exact Mass: 2014.50
• IUPAC Name: 3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-ethyloxetan-3-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-fluoro-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methyl-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(6-methyl-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole
• SMILES: CCC1(COc2noc3ccc(-c4ccc(OC(F)(F)F)cc4)cc23)COC1.Cc1cccc(COc2noc3ccc(-c4ccc(OC(F)(F)F)cc4)cc23)n1.Cc1cccnc1COc1noc2ccc(-c3ccc(OC(F)(F)F)cc3)cc12.FC(F)(F)Oc1ccc(-c2ccc3onc(OCc4nnc(C5CC5)o4)c3c2)cc1.Fc1cccnc1COc1noc2ccc(-c3ccc(OC(F)(F)F)cc3)cc12
• InChI: InChI=1S/2C21H15F3N2O3.C20H12F4N2O3.C20H14F3N3O4.C20H18F3NO4/c1-13-3-2-10-25-18(13)12-27-20-17-11-15(6-9-19(17)29-26-20)14-4-7-16(8-5-14)28-21(22,23)24;1-13-3-2-4-16(25-13)12-27-20-18-11-15(7-10-19(18)29-26-20)14-5-8-17(9-6-14)28-21(22,23)24;21-16-2-1-9-25-17(16)11-27-19-15-10-13(5-8-18(15)29-26-19)12-3-6-14(7-4-12)28-20(22,23)24;21-20(22,23)29-14-6-3-11(4-7-14)13-5-8-16-15(9-13)19(26-30-16)27-10-17-24-25-18(28-17)12-1-2-12;1-2-19(10-25-11-19)12-26-18-16-9-14(5-8-17(16)28-24-18)13-3-6-15(7-4-13)27-20(21,22)23/h2*2-11H,12H2,1H3;1-10H,11H2;3-9,12H,1-2,10H2;3-9H,2,10-12H2,1H3
• InChIKey: BKXJWNZPNSRKRB-UHFFFAOYSA-N
• XLogP: 27.29
• TPSA: 309.27 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 27
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2015.73
LogP ≤ 5	27.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-ethyloxetan-3-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-fluoro-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methyl-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(6-methyl-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole?

The IUPAC name of 3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-ethyloxetan-3-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-fluoro-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methyl-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(6-methyl-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole (CID 157381293) is 3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-ethyloxetan-3-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-fluoro-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methyl-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(6-methyl-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole.

What is the SMILES notation for 3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-ethyloxetan-3-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-fluoro-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methyl-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(6-methyl-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole?

The canonical SMILES for 3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-ethyloxetan-3-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-fluoro-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methyl-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(6-methyl-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole is CCC1(COc2noc3ccc(-c4ccc(OC(F)(F)F)cc4)cc23)COC1.Cc1cccc(COc2noc3ccc(-c4ccc(OC(F)(F)F)cc4)cc23)n1.Cc1cccnc1COc1noc2ccc(-c3ccc(OC(F)(F)F)cc3)cc12.FC(F)(F)Oc1ccc(-c2ccc3onc(OCc4nnc(C5CC5)o4)c3c2)cc1.Fc1cccnc1COc1noc2ccc(-c3ccc(OC(F)(F)F)cc3)cc12.

What is the InChIKey of 3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-ethyloxetan-3-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-fluoro-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methyl-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(6-methyl-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole?

The InChIKey is BKXJWNZPNSRKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H15F3N2O3.C20H12F4N2O3.C20H14F3N3O4.C20H18F3NO4/c1-13-3-2-10-25-18(13)12-27-20-17-11-15(6-9-19(17)29-26-20)14-4-7-16(8-5-14)28-21(22,23)24;1-13-3-2-4-16(25-13)12-27-20-18-11-15(7-10-19(18)29-26-20)14-5-8-17(9-6-14)28-21(22,23)24;21-16-2-1-9-25-17(16)11-27-19-15-10-13(5-8-18(15)29-26-19)12-3-6-14(7-4-12)28-20(22,23)24;21-20(22,23)29-14-6-3-11(4-7-14)13-5-8-16-15(9-13)19(26-30-16)27-10-17-24-25-18(28-17)12-1-2-12;1-2-19(10-25-11-19)12-26-18-16-9-14(5-8-17(16)28-24-18)13-3-6-15(7-4-13)27-20(21,22)23/h2*2-11H,12H2,1H3;1-10H,11H2;3-9,12H,1-2,10H2;3-9H,2,10-12H2,1H3.

What are the key properties of 3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-ethyloxetan-3-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-fluoro-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methyl-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(6-methyl-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole?

3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-ethyloxetan-3-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-fluoro-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methyl-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(6-methyl-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole has a molecular weight of 2015.73 g/mol, XLogP of 27.29, 27 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-ethyloxetan-3-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-fluoro-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methyl-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(6-methyl-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole is sourced from PubChem (CID 157381293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).