3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;1-[2-[[7-fluoro-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxy]ethyl]pyrrolidin-2-one;3-(isoquinolin-3-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(4-methoxy-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(2-piperidin-1-ylethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole

C107H86F16N12O17 — CID 157165578

About 3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;1-[2-[[7-fluoro-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxy]ethyl]pyrrolidin-2-one;3-(isoquinolin-3-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(4-methoxy-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(2-piperidin-1-ylethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole

3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;1-[2-[[7-fluoro-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxy]ethyl]pyrrolidin-2-one;3-(isoquinolin-3-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(4-methoxy-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(2-piperidin-1-ylethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole (PubChem CID 157165578) has the molecular formula C107H86F16N12O17 and a molecular weight of 2115.90 g/mol. Its IUPAC name is 3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;1-[2-[[7-fluoro-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxy]ethyl]pyrrolidin-2-one;3-(isoquinolin-3-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(4-methoxy-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(2-piperidin-1-ylethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole.

Molecular Properties

• Compound Name: 3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;1-[2-[[7-fluoro-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxy]ethyl]pyrrolidin-2-one;3-(isoquinolin-3-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(4-methoxy-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(2-piperidin-1-ylethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole
• PubChem CID: 157165578
• Molecular Formula: C107H86F16N12O17
• Molecular Weight: 2115.90 g/mol
• Exact Mass: 2114.60
• IUPAC Name: 3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;1-[2-[[7-fluoro-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxy]ethyl]pyrrolidin-2-one;3-(isoquinolin-3-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(4-methoxy-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(2-piperidin-1-ylethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole
• SMILES: COc1ccnc(COc2noc3ccc(-c4ccc(OC(F)(F)F)cc4)cc23)c1.Cc1nc(C)n(C(C)COc2noc3ccc(-c4ccc(OC(F)(F)F)cc4)cc23)n1.FC(F)(F)Oc1ccc(-c2ccc3onc(OCCN4CCCCC4)c3c2)cc1.FC(F)(F)Oc1ccc(-c2ccc3onc(OCc4cc5ccccc5cn4)c3c2)cc1.O=C1CCCN1CCOc1noc2c(F)cc(-c3ccc(OC(F)(F)F)cc3)cc12
• InChI: InChI=1S/C24H15F3N2O3.C21H19F3N4O3.C21H15F3N2O4.C21H21F3N2O3.C20H16F4N2O4/c25-24(26,27)31-20-8-5-15(6-9-20)17-7-10-22-21(12-17)23(29-32-22)30-14-19-11-16-3-1-2-4-18(16)13-28-19;1-12(28-14(3)25-13(2)26-28)11-29-20-18-10-16(6-9-19(18)31-27-20)15-4-7-17(8-5-15)30-21(22,23)24;1-27-17-8-9-25-15(11-17)12-28-20-18-10-14(4-7-19(18)30-26-20)13-2-5-16(6-3-13)29-21(22,23)24;22-21(23,24)28-17-7-4-15(5-8-17)16-6-9-19-18(14-16)20(25-29-19)27-13-12-26-10-2-1-3-11-26;21-16-11-13(12-3-5-14(6-4-12)29-20(22,23)24)10-15-18(16)30-25-19(15)28-9-8-26-7-1-2-17(26)27/h1-13H,14H2;4-10,12H,11H2,1-3H3;2-11H,12H2,1H3;4-9,14H,1-3,10-13H2;3-6,10-11H,1-2,7-9H2
• InChIKey: AMWGLLCPHXXELL-UHFFFAOYSA-N
• XLogP: 26.93
• TPSA: 311.72 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 29
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2115.90
LogP ≤ 5	26.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;1-[2-[[7-fluoro-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxy]ethyl]pyrrolidin-2-one;3-(isoquinolin-3-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(4-methoxy-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(2-piperidin-1-ylethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole?

The IUPAC name of 3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;1-[2-[[7-fluoro-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxy]ethyl]pyrrolidin-2-one;3-(isoquinolin-3-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(4-methoxy-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(2-piperidin-1-ylethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole (CID 157165578) is 3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;1-[2-[[7-fluoro-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxy]ethyl]pyrrolidin-2-one;3-(isoquinolin-3-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(4-methoxy-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(2-piperidin-1-ylethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole.

What is the SMILES notation for 3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;1-[2-[[7-fluoro-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxy]ethyl]pyrrolidin-2-one;3-(isoquinolin-3-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(4-methoxy-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(2-piperidin-1-ylethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole?

The canonical SMILES for 3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;1-[2-[[7-fluoro-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxy]ethyl]pyrrolidin-2-one;3-(isoquinolin-3-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(4-methoxy-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(2-piperidin-1-ylethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole is COc1ccnc(COc2noc3ccc(-c4ccc(OC(F)(F)F)cc4)cc23)c1.Cc1nc(C)n(C(C)COc2noc3ccc(-c4ccc(OC(F)(F)F)cc4)cc23)n1.FC(F)(F)Oc1ccc(-c2ccc3onc(OCCN4CCCCC4)c3c2)cc1.FC(F)(F)Oc1ccc(-c2ccc3onc(OCc4cc5ccccc5cn4)c3c2)cc1.O=C1CCCN1CCOc1noc2c(F)cc(-c3ccc(OC(F)(F)F)cc3)cc12.

What is the InChIKey of 3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;1-[2-[[7-fluoro-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxy]ethyl]pyrrolidin-2-one;3-(isoquinolin-3-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(4-methoxy-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(2-piperidin-1-ylethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole?

The InChIKey is AMWGLLCPHXXELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F3N2O3.C21H19F3N4O3.C21H15F3N2O4.C21H21F3N2O3.C20H16F4N2O4/c25-24(26,27)31-20-8-5-15(6-9-20)17-7-10-22-21(12-17)23(29-32-22)30-14-19-11-16-3-1-2-4-18(16)13-28-19;1-12(28-14(3)25-13(2)26-28)11-29-20-18-10-16(6-9-19(18)31-27-20)15-4-7-17(8-5-15)30-21(22,23)24;1-27-17-8-9-25-15(11-17)12-28-20-18-10-14(4-7-19(18)30-26-20)13-2-5-16(6-3-13)29-21(22,23)24;22-21(23,24)28-17-7-4-15(5-8-17)16-6-9-19-18(14-16)20(25-29-19)27-13-12-26-10-2-1-3-11-26;21-16-11-13(12-3-5-14(6-4-12)29-20(22,23)24)10-15-18(16)30-25-19(15)28-9-8-26-7-1-2-17(26)27/h1-13H,14H2;4-10,12H,11H2,1-3H3;2-11H,12H2,1H3;4-9,14H,1-3,10-13H2;3-6,10-11H,1-2,7-9H2.

What are the key properties of 3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;1-[2-[[7-fluoro-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxy]ethyl]pyrrolidin-2-one;3-(isoquinolin-3-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(4-methoxy-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(2-piperidin-1-ylethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole?

3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;1-[2-[[7-fluoro-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxy]ethyl]pyrrolidin-2-one;3-(isoquinolin-3-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(4-methoxy-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(2-piperidin-1-ylethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole has a molecular weight of 2115.90 g/mol, XLogP of 26.93, 29 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;1-[2-[[7-fluoro-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxy]ethyl]pyrrolidin-2-one;3-(isoquinolin-3-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(4-methoxy-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(2-piperidin-1-ylethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole is sourced from PubChem (CID 157165578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).