3-(cyclobutylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(cyclopenta-1,4-dien-1-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[2-fluoro-4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;bis(3-[(1-methylimidazol-4-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole)

C97H71F16N11O16 — CID 159436466

About 3-(cyclobutylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(cyclopenta-1,4-dien-1-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[2-fluoro-4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;bis(3-[(1-methylimidazol-4-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole)

3-(cyclobutylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(cyclopenta-1,4-dien-1-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[2-fluoro-4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;bis(3-[(1-methylimidazol-4-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole) (PubChem CID 159436466) has the molecular formula C97H71F16N11O16 and a molecular weight of 1950.66 g/mol. Its IUPAC name is 3-(cyclobutylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(cyclopenta-1,4-dien-1-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[2-fluoro-4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;bis(3-[(1-methylimidazol-4-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole).

Molecular Properties

• Compound Name: 3-(cyclobutylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(cyclopenta-1,4-dien-1-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[2-fluoro-4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;bis(3-[(1-methylimidazol-4-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole)
• PubChem CID: 159436466
• Molecular Formula: C97H71F16N11O16
• Molecular Weight: 1950.66 g/mol
• Exact Mass: 1949.48
• IUPAC Name: 3-(cyclobutylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(cyclopenta-1,4-dien-1-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[2-fluoro-4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;bis(3-[(1-methylimidazol-4-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole)
• SMILES: Cn1cnc(COc2noc3ccc(-c4ccc(OC(F)(F)F)cc4)cc23)c1.Cn1cnc(COc2noc3ccc(-c4ccc(OC(F)(F)F)cc4)cc23)c1.FC(F)(F)Oc1ccc(-c2ccc3onc(OCC4=CCC=C4)c3c2)cc1.FC(F)(F)Oc1ccc(-c2ccc3onc(OCC4CCC4)c3c2)cc1.Fc1cc(OC(F)(F)F)ccc1-c1ccc2onc(OCc3nnc(C4CC4)o3)c2c1
• InChI: InChI=1S/C20H13F4N3O4.C20H14F3NO3.2C19H14F3N3O3.C19H16F3NO3/c21-15-8-12(30-20(22,23)24)4-5-13(15)11-3-6-16-14(7-11)19(27-31-16)28-9-17-25-26-18(29-17)10-1-2-10;21-20(22,23)26-16-8-5-14(6-9-16)15-7-10-18-17(11-15)19(24-27-18)25-12-13-3-1-2-4-13;2*1-25-9-14(23-11-25)10-26-18-16-8-13(4-7-17(16)28-24-18)12-2-5-15(6-3-12)27-19(20,21)22;20-19(21,22)25-15-7-4-13(5-8-15)14-6-9-17-16(10-14)18(23-26-17)24-11-12-2-1-3-12/h3-8,10H,1-2,9H2;1,3-11H,2,12H2;2*2-9,11H,10H2,1H3;4-10,12H,1-3,11H2
• InChIKey: LRQGFLLCPJFAKV-UHFFFAOYSA-N
• XLogP: 26.01
• TPSA: 297.01 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 26
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1950.66
LogP ≤ 5	26.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(cyclopenta-1,4-dien-1-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[2-fluoro-4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;bis(3-[(1-methylimidazol-4-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole)?

The IUPAC name of 3-(cyclobutylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(cyclopenta-1,4-dien-1-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[2-fluoro-4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;bis(3-[(1-methylimidazol-4-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole) (CID 159436466) is 3-(cyclobutylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(cyclopenta-1,4-dien-1-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[2-fluoro-4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;bis(3-[(1-methylimidazol-4-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole).

What is the SMILES notation for 3-(cyclobutylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(cyclopenta-1,4-dien-1-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[2-fluoro-4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;bis(3-[(1-methylimidazol-4-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole)?

The canonical SMILES for 3-(cyclobutylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(cyclopenta-1,4-dien-1-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[2-fluoro-4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;bis(3-[(1-methylimidazol-4-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole) is Cn1cnc(COc2noc3ccc(-c4ccc(OC(F)(F)F)cc4)cc23)c1.Cn1cnc(COc2noc3ccc(-c4ccc(OC(F)(F)F)cc4)cc23)c1.FC(F)(F)Oc1ccc(-c2ccc3onc(OCC4=CCC=C4)c3c2)cc1.FC(F)(F)Oc1ccc(-c2ccc3onc(OCC4CCC4)c3c2)cc1.Fc1cc(OC(F)(F)F)ccc1-c1ccc2onc(OCc3nnc(C4CC4)o3)c2c1.

What is the InChIKey of 3-(cyclobutylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(cyclopenta-1,4-dien-1-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[2-fluoro-4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;bis(3-[(1-methylimidazol-4-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole)?

The InChIKey is LRQGFLLCPJFAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F4N3O4.C20H14F3NO3.2C19H14F3N3O3.C19H16F3NO3/c21-15-8-12(30-20(22,23)24)4-5-13(15)11-3-6-16-14(7-11)19(27-31-16)28-9-17-25-26-18(29-17)10-1-2-10;21-20(22,23)26-16-8-5-14(6-9-16)15-7-10-18-17(11-15)19(24-27-18)25-12-13-3-1-2-4-13;2*1-25-9-14(23-11-25)10-26-18-16-8-13(4-7-17(16)28-24-18)12-2-5-15(6-3-12)27-19(20,21)22;20-19(21,22)25-15-7-4-13(5-8-15)14-6-9-17-16(10-14)18(23-26-17)24-11-12-2-1-3-12/h3-8,10H,1-2,9H2;1,3-11H,2,12H2;2*2-9,11H,10H2,1H3;4-10,12H,1-3,11H2.

What are the key properties of 3-(cyclobutylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(cyclopenta-1,4-dien-1-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[2-fluoro-4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;bis(3-[(1-methylimidazol-4-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole)?

3-(cyclobutylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(cyclopenta-1,4-dien-1-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[2-fluoro-4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;bis(3-[(1-methylimidazol-4-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole) has a molecular weight of 1950.66 g/mol, XLogP of 26.01, 26 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(cyclobutylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(cyclopenta-1,4-dien-1-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[2-fluoro-4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;bis(3-[(1-methylimidazol-4-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole) is sourced from PubChem (CID 159436466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).