3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-methylpyrazin-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(2-pyrazol-1-ylpropoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyridin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;1-[2-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxy]ethyl]pyrrolidin-2-one

C100H77F15N14O16 — CID 158002007

About 3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-methylpyrazin-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(2-pyrazol-1-ylpropoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyridin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;1-[2-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxy]ethyl]pyrrolidin-2-one

3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-methylpyrazin-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(2-pyrazol-1-ylpropoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyridin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;1-[2-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxy]ethyl]pyrrolidin-2-one (PubChem CID 158002007) has the molecular formula C100H77F15N14O16 and a molecular weight of 2015.77 g/mol. Its IUPAC name is 3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-methylpyrazin-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(2-pyrazol-1-ylpropoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyridin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;1-[2-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxy]ethyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-methylpyrazin-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(2-pyrazol-1-ylpropoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyridin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;1-[2-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxy]ethyl]pyrrolidin-2-one
• PubChem CID: 158002007
• Molecular Formula: C100H77F15N14O16
• Molecular Weight: 2015.77 g/mol
• Exact Mass: 2014.54
• IUPAC Name: 3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-methylpyrazin-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(2-pyrazol-1-ylpropoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyridin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;1-[2-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxy]ethyl]pyrrolidin-2-one
• SMILES: CC(COc1noc2ccc(-c3ccc(OC(F)(F)F)cc3)cc12)n1cccn1.Cc1cnc(COc2noc3ccc(-c4ccc(OC(F)(F)F)cc4)cc23)cn1.Cc1nc(C)n(CCOc2noc3ccc(-c4ccc(OC(F)(F)F)cc4)cc23)n1.FC(F)(F)Oc1ccc(-c2ccc3onc(OCc4ccccn4)c3c2)cc1.O=C1CCCN1CCOc1noc2ccc(-c3ccc(OC(F)(F)F)cc3)cc12
• InChI: InChI=1S/C20H17F3N4O3.C20H16F3N3O3.C20H14F3N3O3.C20H17F3N2O4.C20H13F3N2O3/c1-12-24-13(2)27(25-12)9-10-28-19-17-11-15(5-8-18(17)30-26-19)14-3-6-16(7-4-14)29-20(21,22)23;1-13(26-10-2-9-24-26)12-27-19-17-11-15(5-8-18(17)29-25-19)14-3-6-16(7-4-14)28-20(21,22)23;1-12-9-25-15(10-24-12)11-27-19-17-8-14(4-7-18(17)29-26-19)13-2-5-16(6-3-13)28-20(21,22)23;21-20(22,23)28-15-6-3-13(4-7-15)14-5-8-17-16(12-14)19(24-29-17)27-11-10-25-9-1-2-18(25)26;21-20(22,23)27-16-7-4-13(5-8-16)14-6-9-18-17(11-14)19(25-28-18)26-12-15-3-1-2-10-24-15/h3-8,11H,9-10H2,1-2H3;2-11,13H,12H2,1H3;2-10H,11H2,1H3;3-8,12H,1-2,9-11H2;1-11H,12H2
• InChIKey: FDVPXUVBFXLAGC-UHFFFAOYSA-N
• XLogP: 24.74
• TPSA: 329.96 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 28
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2015.77
LogP ≤ 5	24.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-methylpyrazin-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(2-pyrazol-1-ylpropoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyridin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;1-[2-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxy]ethyl]pyrrolidin-2-one?

The IUPAC name of 3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-methylpyrazin-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(2-pyrazol-1-ylpropoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyridin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;1-[2-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxy]ethyl]pyrrolidin-2-one (CID 158002007) is 3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-methylpyrazin-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(2-pyrazol-1-ylpropoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyridin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;1-[2-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxy]ethyl]pyrrolidin-2-one.

What is the SMILES notation for 3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-methylpyrazin-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(2-pyrazol-1-ylpropoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyridin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;1-[2-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxy]ethyl]pyrrolidin-2-one?

The canonical SMILES for 3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-methylpyrazin-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(2-pyrazol-1-ylpropoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyridin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;1-[2-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxy]ethyl]pyrrolidin-2-one is CC(COc1noc2ccc(-c3ccc(OC(F)(F)F)cc3)cc12)n1cccn1.Cc1cnc(COc2noc3ccc(-c4ccc(OC(F)(F)F)cc4)cc23)cn1.Cc1nc(C)n(CCOc2noc3ccc(-c4ccc(OC(F)(F)F)cc4)cc23)n1.FC(F)(F)Oc1ccc(-c2ccc3onc(OCc4ccccn4)c3c2)cc1.O=C1CCCN1CCOc1noc2ccc(-c3ccc(OC(F)(F)F)cc3)cc12.

What is the InChIKey of 3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-methylpyrazin-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(2-pyrazol-1-ylpropoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyridin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;1-[2-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxy]ethyl]pyrrolidin-2-one?

The InChIKey is FDVPXUVBFXLAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O3.C20H16F3N3O3.C20H14F3N3O3.C20H17F3N2O4.C20H13F3N2O3/c1-12-24-13(2)27(25-12)9-10-28-19-17-11-15(5-8-18(17)30-26-19)14-3-6-16(7-4-14)29-20(21,22)23;1-13(26-10-2-9-24-26)12-27-19-17-11-15(5-8-18(17)29-25-19)14-3-6-16(7-4-14)28-20(21,22)23;1-12-9-25-15(10-24-12)11-27-19-17-8-14(4-7-18(17)29-26-19)13-2-5-16(6-3-13)28-20(21,22)23;21-20(22,23)28-15-6-3-13(4-7-15)14-5-8-17-16(12-14)19(24-29-17)27-11-10-25-9-1-2-18(25)26;21-20(22,23)27-16-7-4-13(5-8-16)14-6-9-18-17(11-14)19(25-28-18)26-12-15-3-1-2-10-24-15/h3-8,11H,9-10H2,1-2H3;2-11,13H,12H2,1H3;2-10H,11H2,1H3;3-8,12H,1-2,9-11H2;1-11H,12H2.

What are the key properties of 3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-methylpyrazin-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(2-pyrazol-1-ylpropoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyridin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;1-[2-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxy]ethyl]pyrrolidin-2-one?

3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-methylpyrazin-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(2-pyrazol-1-ylpropoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyridin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;1-[2-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxy]ethyl]pyrrolidin-2-one has a molecular weight of 2015.77 g/mol, XLogP of 24.74, 28 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-methylpyrazin-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(2-pyrazol-1-ylpropoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyridin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;1-[2-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxy]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 158002007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).