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-[4-(trifluoromethyl)phenyl]-1,2-benzoxazole;5-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-fluoro-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;6-fluoro-5-[2-fluoro-4-(trifluoromethyl)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;6-fluoro-5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole

C99H63F18N15O16 — CID 158952581

About 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-[4-(trifluoromethyl)phenyl]-1,2-benzoxazole;5-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-fluoro-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;6-fluoro-5-[2-fluoro-4-(trifluoromethyl)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;6-fluoro-5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-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-[4-(trifluoromethyl)phenyl]-1,2-benzoxazole;5-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-fluoro-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;6-fluoro-5-[2-fluoro-4-(trifluoromethyl)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;6-fluoro-5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole (PubChem CID 158952581) has the molecular formula C99H63F18N15O16 and a molecular weight of 2060.65 g/mol. Its IUPAC name is 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-[4-(trifluoromethyl)phenyl]-1,2-benzoxazole;5-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-fluoro-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;6-fluoro-5-[2-fluoro-4-(trifluoromethyl)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;6-fluoro-5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole.

Molecular Properties

• Compound Name: 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-[4-(trifluoromethyl)phenyl]-1,2-benzoxazole;5-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-fluoro-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;6-fluoro-5-[2-fluoro-4-(trifluoromethyl)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;6-fluoro-5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole
• PubChem CID: 158952581
• Molecular Formula: C99H63F18N15O16
• Molecular Weight: 2060.65 g/mol
• Exact Mass: 2059.43
• IUPAC Name: 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-[4-(trifluoromethyl)phenyl]-1,2-benzoxazole;5-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-fluoro-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;6-fluoro-5-[2-fluoro-4-(trifluoromethyl)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;6-fluoro-5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole
• SMILES: Cc1cc(OC(F)(F)F)ccc1-c1cc2c(OCc3ncccn3)noc2cc1F.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-c1cc2c(OCc3ncccn3)noc2cc1F.Fc1cc2onc(OCc3ncccn3)c2cc1-c1ccc2c(c1)OC(F)(F)O2
• InChI: InChI=1S/C21H16F3N3O4.C20H13F4N3O3.C20H14F3N3O3.C19H10F5N3O2.C19H10F3N3O4/c1-11-8-14(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;1-11-7-12(29-20(22,23)24)3-4-13(11)14-8-15-17(9-16(14)21)30-27-19(15)28-10-18-25-5-2-6-26-18;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;20-14-6-10(19(22,23)24)2-3-11(14)12-7-13-16(8-15(12)21)29-27-18(13)28-9-17-25-4-1-5-26-17;20-13-8-15-12(18(25-29-15)26-9-17-23-4-1-5-24-17)7-11(13)10-2-3-14-16(6-10)28-19(21,22)27-14/h4-9,12H,2-3,10H2,1H3;2-9H,10H2,1H3;3-9,12H,1-2,10H2;2*1-8H,9H2
• InChIKey: JLPSCWKLFKBSKO-UHFFFAOYSA-N
• XLogP: 25.59
• TPSA: 368.40 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 24
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2060.65
LogP ≤ 5	25.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

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

The IUPAC name of 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-[4-(trifluoromethyl)phenyl]-1,2-benzoxazole;5-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-fluoro-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;6-fluoro-5-[2-fluoro-4-(trifluoromethyl)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;6-fluoro-5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole (CID 158952581) is 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-[4-(trifluoromethyl)phenyl]-1,2-benzoxazole;5-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-fluoro-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;6-fluoro-5-[2-fluoro-4-(trifluoromethyl)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;6-fluoro-5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole.

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

The canonical SMILES for 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-[4-(trifluoromethyl)phenyl]-1,2-benzoxazole;5-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-fluoro-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;6-fluoro-5-[2-fluoro-4-(trifluoromethyl)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;6-fluoro-5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole is Cc1cc(OC(F)(F)F)ccc1-c1cc2c(OCc3ncccn3)noc2cc1F.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-c1cc2c(OCc3ncccn3)noc2cc1F.Fc1cc2onc(OCc3ncccn3)c2cc1-c1ccc2c(c1)OC(F)(F)O2.

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

The InChIKey is JLPSCWKLFKBSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O4.C20H13F4N3O3.C20H14F3N3O3.C19H10F5N3O2.C19H10F3N3O4/c1-11-8-14(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;1-11-7-12(29-20(22,23)24)3-4-13(11)14-8-15-17(9-16(14)21)30-27-19(15)28-10-18-25-5-2-6-26-18;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;20-14-6-10(19(22,23)24)2-3-11(14)12-7-13-16(8-15(12)21)29-27-18(13)28-9-17-25-4-1-5-26-17;20-13-8-15-12(18(25-29-15)26-9-17-23-4-1-5-24-17)7-11(13)10-2-3-14-16(6-10)28-19(21,22)27-14/h4-9,12H,2-3,10H2,1H3;2-9H,10H2,1H3;3-9,12H,1-2,10H2;2*1-8H,9H2.

What are the key properties of 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-[4-(trifluoromethyl)phenyl]-1,2-benzoxazole;5-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-fluoro-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;6-fluoro-5-[2-fluoro-4-(trifluoromethyl)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;6-fluoro-5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-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-[4-(trifluoromethyl)phenyl]-1,2-benzoxazole;5-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-fluoro-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;6-fluoro-5-[2-fluoro-4-(trifluoromethyl)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;6-fluoro-5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole has a molecular weight of 2060.65 g/mol, XLogP of 25.59, 24 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 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-[4-(trifluoromethyl)phenyl]-1,2-benzoxazole;5-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-fluoro-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;6-fluoro-5-[2-fluoro-4-(trifluoromethyl)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;6-fluoro-5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole is sourced from PubChem (CID 158952581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).