3-(2-methoxyethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[2-(2-methylpyrrol-1-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;1-methyl-4-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxymethyl]pyrrolidin-2-one;3-(2-pyrazol-1-ylethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;1-[2-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxy]ethyl]pyrrolidin-2-one

C97H79F15N10O18 — CID 159095037

About 3-(2-methoxyethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[2-(2-methylpyrrol-1-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;1-methyl-4-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxymethyl]pyrrolidin-2-one;3-(2-pyrazol-1-ylethoxy)-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-methoxyethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[2-(2-methylpyrrol-1-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;1-methyl-4-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxymethyl]pyrrolidin-2-one;3-(2-pyrazol-1-ylethoxy)-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 159095037) has the molecular formula C97H79F15N10O18 and a molecular weight of 1957.72 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[2-(2-methylpyrrol-1-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;1-methyl-4-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxymethyl]pyrrolidin-2-one;3-(2-pyrazol-1-ylethoxy)-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-methoxyethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[2-(2-methylpyrrol-1-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;1-methyl-4-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxymethyl]pyrrolidin-2-one;3-(2-pyrazol-1-ylethoxy)-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: 159095037
• Molecular Formula: C97H79F15N10O18
• Molecular Weight: 1957.72 g/mol
• Exact Mass: 1956.53
• IUPAC Name: 3-(2-methoxyethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[2-(2-methylpyrrol-1-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;1-methyl-4-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxymethyl]pyrrolidin-2-one;3-(2-pyrazol-1-ylethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;1-[2-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxy]ethyl]pyrrolidin-2-one
• SMILES: CN1CC(COc2noc3ccc(-c4ccc(OC(F)(F)F)cc4)cc23)CC1=O.COCCOc1noc2ccc(-c3ccc(OC(F)(F)F)cc3)cc12.Cc1cccn1CCOc1noc2ccc(-c3ccc(OC(F)(F)F)cc3)cc12.FC(F)(F)Oc1ccc(-c2ccc3onc(OCCn4cccn4)c3c2)cc1.O=C1CCCN1CCOc1noc2ccc(-c3ccc(OC(F)(F)F)cc3)cc12
• InChI: InChI=1S/C21H17F3N2O3.2C20H17F3N2O4.C19H14F3N3O3.C17H14F3NO4/c1-14-3-2-10-26(14)11-12-27-20-18-13-16(6-9-19(18)29-25-20)15-4-7-17(8-5-15)28-21(22,23)24;1-25-10-12(8-18(25)26)11-27-19-16-9-14(4-7-17(16)29-24-19)13-2-5-15(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;20-19(21,22)27-15-5-2-13(3-6-15)14-4-7-17-16(12-14)18(24-28-17)26-11-10-25-9-1-8-23-25;1-22-8-9-23-16-14-10-12(4-7-15(14)25-21-16)11-2-5-13(6-3-11)24-17(18,19)20/h2-10,13H,11-12H2,1H3;2-7,9,12H,8,10-11H2,1H3;3-8,12H,1-2,9-11H2;1-9,12H,10-11H2;2-7,10H,8-9H2,1H3
• InChIKey: KCOCSOIJIGMTNG-UHFFFAOYSA-N
• XLogP: 23.31
• TPSA: 295.05 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 29
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1957.72
LogP ≤ 5	23.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[2-(2-methylpyrrol-1-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;1-methyl-4-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxymethyl]pyrrolidin-2-one;3-(2-pyrazol-1-ylethoxy)-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-methoxyethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[2-(2-methylpyrrol-1-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;1-methyl-4-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxymethyl]pyrrolidin-2-one;3-(2-pyrazol-1-ylethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;1-[2-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxy]ethyl]pyrrolidin-2-one (CID 159095037) is 3-(2-methoxyethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[2-(2-methylpyrrol-1-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;1-methyl-4-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxymethyl]pyrrolidin-2-one;3-(2-pyrazol-1-ylethoxy)-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-methoxyethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[2-(2-methylpyrrol-1-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;1-methyl-4-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxymethyl]pyrrolidin-2-one;3-(2-pyrazol-1-ylethoxy)-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-methoxyethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[2-(2-methylpyrrol-1-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;1-methyl-4-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxymethyl]pyrrolidin-2-one;3-(2-pyrazol-1-ylethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;1-[2-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxy]ethyl]pyrrolidin-2-one is CN1CC(COc2noc3ccc(-c4ccc(OC(F)(F)F)cc4)cc23)CC1=O.COCCOc1noc2ccc(-c3ccc(OC(F)(F)F)cc3)cc12.Cc1cccn1CCOc1noc2ccc(-c3ccc(OC(F)(F)F)cc3)cc12.FC(F)(F)Oc1ccc(-c2ccc3onc(OCCn4cccn4)c3c2)cc1.O=C1CCCN1CCOc1noc2ccc(-c3ccc(OC(F)(F)F)cc3)cc12.

What is the InChIKey of 3-(2-methoxyethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[2-(2-methylpyrrol-1-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;1-methyl-4-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxymethyl]pyrrolidin-2-one;3-(2-pyrazol-1-ylethoxy)-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 KCOCSOIJIGMTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O3.2C20H17F3N2O4.C19H14F3N3O3.C17H14F3NO4/c1-14-3-2-10-26(14)11-12-27-20-18-13-16(6-9-19(18)29-25-20)15-4-7-17(8-5-15)28-21(22,23)24;1-25-10-12(8-18(25)26)11-27-19-16-9-14(4-7-17(16)29-24-19)13-2-5-15(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;20-19(21,22)27-15-5-2-13(3-6-15)14-4-7-17-16(12-14)18(24-28-17)26-11-10-25-9-1-8-23-25;1-22-8-9-23-16-14-10-12(4-7-15(14)25-21-16)11-2-5-13(6-3-11)24-17(18,19)20/h2-10,13H,11-12H2,1H3;2-7,9,12H,8,10-11H2,1H3;3-8,12H,1-2,9-11H2;1-9,12H,10-11H2;2-7,10H,8-9H2,1H3.

What are the key properties of 3-(2-methoxyethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[2-(2-methylpyrrol-1-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;1-methyl-4-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxymethyl]pyrrolidin-2-one;3-(2-pyrazol-1-ylethoxy)-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-methoxyethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[2-(2-methylpyrrol-1-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;1-methyl-4-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxymethyl]pyrrolidin-2-one;3-(2-pyrazol-1-ylethoxy)-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 1957.72 g/mol, XLogP of 23.31, 29 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-methoxyethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[2-(2-methylpyrrol-1-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;1-methyl-4-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxymethyl]pyrrolidin-2-one;3-(2-pyrazol-1-ylethoxy)-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 159095037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).