3-(cyclopenta-1,4-dien-1-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(1-ethylpyrrol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-methylidenepyrrolidin-3-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(1-methylimidazol-4-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(1-methylpyrazol-4-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole

C99H76F15N11O15 — CID 159277743

About 3-(cyclopenta-1,4-dien-1-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(1-ethylpyrrol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-methylidenepyrrolidin-3-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(1-methylimidazol-4-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(1-methylpyrazol-4-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole

3-(cyclopenta-1,4-dien-1-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(1-ethylpyrrol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-methylidenepyrrolidin-3-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(1-methylimidazol-4-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(1-methylpyrazol-4-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole (PubChem CID 159277743) has the molecular formula C99H76F15N11O15 and a molecular weight of 1944.73 g/mol. Its IUPAC name is 3-(cyclopenta-1,4-dien-1-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(1-ethylpyrrol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-methylidenepyrrolidin-3-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(1-methylimidazol-4-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(1-methylpyrazol-4-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole.

Molecular Properties

• Compound Name: 3-(cyclopenta-1,4-dien-1-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(1-ethylpyrrol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-methylidenepyrrolidin-3-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(1-methylimidazol-4-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(1-methylpyrazol-4-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole
• PubChem CID: 159277743
• Molecular Formula: C99H76F15N11O15
• Molecular Weight: 1944.73 g/mol
• Exact Mass: 1943.53
• IUPAC Name: 3-(cyclopenta-1,4-dien-1-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(1-ethylpyrrol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-methylidenepyrrolidin-3-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(1-methylimidazol-4-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(1-methylpyrazol-4-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole
• SMILES: C=C1CC(COc2noc3ccc(-c4ccc(OC(F)(F)F)cc4)cc23)CN1.CCn1cccc1COc1noc2ccc(-c3ccc(OC(F)(F)F)cc3)cc12.Cn1cc(COc2noc3ccc(-c4ccc(OC(F)(F)F)cc4)cc23)cn1.Cn1cnc(COc2noc3ccc(-c4ccc(OC(F)(F)F)cc4)cc23)c1.FC(F)(F)Oc1ccc(-c2ccc3onc(OCC4=CCC=C4)c3c2)cc1
• InChI: InChI=1S/C21H17F3N2O3.C20H17F3N2O3.C20H14F3NO3.2C19H14F3N3O3/c1-2-26-11-3-4-16(26)13-27-20-18-12-15(7-10-19(18)29-25-20)14-5-8-17(9-6-14)28-21(22,23)24;1-12-8-13(10-24-12)11-26-19-17-9-15(4-7-18(17)28-25-19)14-2-5-16(6-3-14)27-20(21,22)23;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;1-25-10-12(9-23-25)11-26-18-16-8-14(4-7-17(16)28-24-18)13-2-5-15(6-3-13)27-19(20,21)22;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/h3-12H,2,13H2,1H3;2-7,9,13,24H,1,8,10-11H2;1,3-11H,2,12H2;2-10H,11H2,1H3;2-9,11H,10H2,1H3
• InChIKey: KYNHZYONJZWCOO-UHFFFAOYSA-N
• XLogP: 25.76
• TPSA: 275.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 26
• Rotatable Bonds: 26
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1944.73
LogP ≤ 5	25.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopenta-1,4-dien-1-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(1-ethylpyrrol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-methylidenepyrrolidin-3-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(1-methylimidazol-4-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(1-methylpyrazol-4-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole?

The IUPAC name of 3-(cyclopenta-1,4-dien-1-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(1-ethylpyrrol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-methylidenepyrrolidin-3-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(1-methylimidazol-4-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(1-methylpyrazol-4-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole (CID 159277743) is 3-(cyclopenta-1,4-dien-1-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(1-ethylpyrrol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-methylidenepyrrolidin-3-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(1-methylimidazol-4-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(1-methylpyrazol-4-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole.

What is the SMILES notation for 3-(cyclopenta-1,4-dien-1-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(1-ethylpyrrol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-methylidenepyrrolidin-3-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(1-methylimidazol-4-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(1-methylpyrazol-4-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole?

The canonical SMILES for 3-(cyclopenta-1,4-dien-1-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(1-ethylpyrrol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-methylidenepyrrolidin-3-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(1-methylimidazol-4-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(1-methylpyrazol-4-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole is C=C1CC(COc2noc3ccc(-c4ccc(OC(F)(F)F)cc4)cc23)CN1.CCn1cccc1COc1noc2ccc(-c3ccc(OC(F)(F)F)cc3)cc12.Cn1cc(COc2noc3ccc(-c4ccc(OC(F)(F)F)cc4)cc23)cn1.Cn1cnc(COc2noc3ccc(-c4ccc(OC(F)(F)F)cc4)cc23)c1.FC(F)(F)Oc1ccc(-c2ccc3onc(OCC4=CCC=C4)c3c2)cc1.

What is the InChIKey of 3-(cyclopenta-1,4-dien-1-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(1-ethylpyrrol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-methylidenepyrrolidin-3-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(1-methylimidazol-4-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(1-methylpyrazol-4-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole?

The InChIKey is KYNHZYONJZWCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O3.C20H17F3N2O3.C20H14F3NO3.2C19H14F3N3O3/c1-2-26-11-3-4-16(26)13-27-20-18-12-15(7-10-19(18)29-25-20)14-5-8-17(9-6-14)28-21(22,23)24;1-12-8-13(10-24-12)11-26-19-17-9-15(4-7-18(17)28-25-19)14-2-5-16(6-3-14)27-20(21,22)23;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;1-25-10-12(9-23-25)11-26-18-16-8-14(4-7-17(16)28-24-18)13-2-5-15(6-3-13)27-19(20,21)22;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/h3-12H,2,13H2,1H3;2-7,9,13,24H,1,8,10-11H2;1,3-11H,2,12H2;2-10H,11H2,1H3;2-9,11H,10H2,1H3.

What are the key properties of 3-(cyclopenta-1,4-dien-1-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(1-ethylpyrrol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-methylidenepyrrolidin-3-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(1-methylimidazol-4-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(1-methylpyrazol-4-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole?

3-(cyclopenta-1,4-dien-1-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(1-ethylpyrrol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-methylidenepyrrolidin-3-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(1-methylimidazol-4-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(1-methylpyrazol-4-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole has a molecular weight of 1944.73 g/mol, XLogP of 25.76, 26 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(cyclopenta-1,4-dien-1-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(1-ethylpyrrol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-methylidenepyrrolidin-3-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(1-methylimidazol-4-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(1-methylpyrazol-4-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole is sourced from PubChem (CID 159277743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).