3-(4-tert-butylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[4-(1,1-difluoroethyl)imidazol-1-yl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(4-methylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(3-methyl-1,2,4-triazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(4-phenylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(2-propan-2-ylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole

C118H83F20N19O12 — CID 160574613

About 3-(4-tert-butylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[4-(1,1-difluoroethyl)imidazol-1-yl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(4-methylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(3-methyl-1,2,4-triazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(4-phenylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(2-propan-2-ylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole

3-(4-tert-butylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[4-(1,1-difluoroethyl)imidazol-1-yl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(4-methylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(3-methyl-1,2,4-triazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(4-phenylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(2-propan-2-ylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole (PubChem CID 160574613) has the molecular formula C118H83F20N19O12 and a molecular weight of 2339.04 g/mol. Its IUPAC name is 3-(4-tert-butylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[4-(1,1-difluoroethyl)imidazol-1-yl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(4-methylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(3-methyl-1,2,4-triazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(4-phenylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(2-propan-2-ylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole.

Molecular Properties

• Compound Name: 3-(4-tert-butylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[4-(1,1-difluoroethyl)imidazol-1-yl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(4-methylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(3-methyl-1,2,4-triazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(4-phenylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(2-propan-2-ylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole
• PubChem CID: 160574613
• Molecular Formula: C118H83F20N19O12
• Molecular Weight: 2339.04 g/mol
• Exact Mass: 2337.61
• IUPAC Name: 3-(4-tert-butylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[4-(1,1-difluoroethyl)imidazol-1-yl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(4-methylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(3-methyl-1,2,4-triazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(4-phenylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(2-propan-2-ylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole
• SMILES: CC(C)(C)c1cn(-c2noc3ccc(-c4ccc(OC(F)(F)F)cc4)cc23)cn1.CC(C)c1nccn1-c1noc2ccc(-c3ccc(OC(F)(F)F)cc3)cc12.CC(F)(F)c1cn(-c2noc3ccc(-c4ccc(OC(F)(F)F)cc4)cc23)cn1.Cc1cn(-c2noc3ccc(-c4ccc(OC(F)(F)F)cc4)cc23)cn1.Cc1ncn(-c2noc3ccc(-c4ccc(OC(F)(F)F)cc4)cc23)n1.FC(F)(F)Oc1ccc(-c2ccc3onc(-n4cnc(-c5ccccc5)c4)c3c2)cc1
• InChI: InChI=1S/C23H14F3N3O2.C21H18F3N3O2.C20H16F3N3O2.C19H12F5N3O2.C18H12F3N3O2.C17H11F3N4O2/c24-23(25,26)30-18-9-6-15(7-10-18)17-8-11-21-19(12-17)22(28-31-21)29-13-20(27-14-29)16-4-2-1-3-5-16;1-20(2,3)18-11-27(12-25-18)19-16-10-14(6-9-17(16)29-26-19)13-4-7-15(8-5-13)28-21(22,23)24;1-12(2)18-24-9-10-26(18)19-16-11-14(5-8-17(16)28-25-19)13-3-6-15(7-4-13)27-20(21,22)23;1-18(20,21)16-9-27(10-25-16)17-14-8-12(4-7-15(14)29-26-17)11-2-5-13(6-3-11)28-19(22,23)24;1-11-9-24(10-22-11)17-15-8-13(4-7-16(15)26-23-17)12-2-5-14(6-3-12)25-18(19,20)21;1-10-21-9-24(22-10)16-14-8-12(4-7-15(14)26-23-16)11-2-5-13(6-3-11)25-17(18,19)20/h1-14H;4-12H,1-3H3;3-12H,1-2H3;2-10H,1H3;2-10H,1H3;2-9H,1H3
• InChIKey: RAZGYZYIMYWBRI-UHFFFAOYSA-N
• XLogP: 32.69
• TPSA: 331.37 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 21
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2339.04
LogP ≤ 5	32.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[4-(1,1-difluoroethyl)imidazol-1-yl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(4-methylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(3-methyl-1,2,4-triazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(4-phenylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(2-propan-2-ylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole?

The IUPAC name of 3-(4-tert-butylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[4-(1,1-difluoroethyl)imidazol-1-yl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(4-methylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(3-methyl-1,2,4-triazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(4-phenylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(2-propan-2-ylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole (CID 160574613) is 3-(4-tert-butylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[4-(1,1-difluoroethyl)imidazol-1-yl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(4-methylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(3-methyl-1,2,4-triazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(4-phenylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(2-propan-2-ylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole.

What is the SMILES notation for 3-(4-tert-butylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[4-(1,1-difluoroethyl)imidazol-1-yl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(4-methylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(3-methyl-1,2,4-triazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(4-phenylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(2-propan-2-ylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole?

The canonical SMILES for 3-(4-tert-butylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[4-(1,1-difluoroethyl)imidazol-1-yl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(4-methylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(3-methyl-1,2,4-triazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(4-phenylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(2-propan-2-ylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole is CC(C)(C)c1cn(-c2noc3ccc(-c4ccc(OC(F)(F)F)cc4)cc23)cn1.CC(C)c1nccn1-c1noc2ccc(-c3ccc(OC(F)(F)F)cc3)cc12.CC(F)(F)c1cn(-c2noc3ccc(-c4ccc(OC(F)(F)F)cc4)cc23)cn1.Cc1cn(-c2noc3ccc(-c4ccc(OC(F)(F)F)cc4)cc23)cn1.Cc1ncn(-c2noc3ccc(-c4ccc(OC(F)(F)F)cc4)cc23)n1.FC(F)(F)Oc1ccc(-c2ccc3onc(-n4cnc(-c5ccccc5)c4)c3c2)cc1.

What is the InChIKey of 3-(4-tert-butylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[4-(1,1-difluoroethyl)imidazol-1-yl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(4-methylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(3-methyl-1,2,4-triazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(4-phenylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(2-propan-2-ylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole?

The InChIKey is RAZGYZYIMYWBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F3N3O2.C21H18F3N3O2.C20H16F3N3O2.C19H12F5N3O2.C18H12F3N3O2.C17H11F3N4O2/c24-23(25,26)30-18-9-6-15(7-10-18)17-8-11-21-19(12-17)22(28-31-21)29-13-20(27-14-29)16-4-2-1-3-5-16;1-20(2,3)18-11-27(12-25-18)19-16-10-14(6-9-17(16)29-26-19)13-4-7-15(8-5-13)28-21(22,23)24;1-12(2)18-24-9-10-26(18)19-16-11-14(5-8-17(16)28-25-19)13-3-6-15(7-4-13)27-20(21,22)23;1-18(20,21)16-9-27(10-25-16)17-14-8-12(4-7-15(14)29-26-17)11-2-5-13(6-3-11)28-19(22,23)24;1-11-9-24(10-22-11)17-15-8-13(4-7-16(15)26-23-17)12-2-5-14(6-3-12)25-18(19,20)21;1-10-21-9-24(22-10)16-14-8-12(4-7-15(14)26-23-16)11-2-5-13(6-3-11)25-17(18,19)20/h1-14H;4-12H,1-3H3;3-12H,1-2H3;2-10H,1H3;2-10H,1H3;2-9H,1H3.

What are the key properties of 3-(4-tert-butylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[4-(1,1-difluoroethyl)imidazol-1-yl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(4-methylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(3-methyl-1,2,4-triazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(4-phenylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(2-propan-2-ylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole?

3-(4-tert-butylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[4-(1,1-difluoroethyl)imidazol-1-yl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(4-methylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(3-methyl-1,2,4-triazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(4-phenylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(2-propan-2-ylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole has a molecular weight of 2339.04 g/mol, XLogP of 32.69, 21 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-tert-butylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[4-(1,1-difluoroethyl)imidazol-1-yl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(4-methylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(3-methyl-1,2,4-triazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(4-phenylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(2-propan-2-ylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole is sourced from PubChem (CID 160574613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).