N-[2-(2-methylidenepyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-(2-methylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;bis(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;N-(2-pyrazol-1-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-pyrazol-1-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole

C151H106F24N26O16 — CID 157272140

About N-[2-(2-methylidenepyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-(2-methylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;bis(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;N-(2-pyrazol-1-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-pyrazol-1-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole

N-[2-(2-methylidenepyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-(2-methylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;bis(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;N-(2-pyrazol-1-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-pyrazol-1-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole (PubChem CID 157272140) has the molecular formula C151H106F24N26O16 and a molecular weight of 2996.63 g/mol. Its IUPAC name is N-[2-(2-methylidenepyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-(2-methylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;bis(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;N-(2-pyrazol-1-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-pyrazol-1-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole.

Molecular Properties

• Compound Name: N-[2-(2-methylidenepyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-(2-methylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;bis(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;N-(2-pyrazol-1-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-pyrazol-1-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole
• PubChem CID: 157272140
• Molecular Formula: C151H106F24N26O16
• Molecular Weight: 2996.63 g/mol
• Exact Mass: 2994.79
• IUPAC Name: N-[2-(2-methylidenepyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-(2-methylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;bis(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;N-(2-pyrazol-1-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-pyrazol-1-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole
• SMILES: C=C1CCCN1CCNc1noc2ccc(-c3ccc(OC(F)(F)F)cc3)cc12.Cc1cn(-c2noc3ccc(-c4ccc(OC(F)(F)F)cc4)cc23)cn1.Cc1cn(-c2noc3ccc(-c4ccc(OC(F)(F)F)cc4)cc23)cn1.Cc1nccn1-c1noc2ccc(-c3ccc(OC(F)(F)F)cc3)cc12.Cc1ncn(-c2noc3ccc(-c4ccc(OC(F)(F)F)cc4)cc23)n1.FC(F)(F)Oc1ccc(-c2ccc3onc(-n4cccn4)c3c2)cc1.FC(F)(F)Oc1ccc(-c2ccc3onc(-n4cnc(-c5ccccc5)c4)c3c2)cc1.FC(F)(F)Oc1ccc(-c2ccc3onc(NCCn4cccn4)c3c2)cc1
• InChI: InChI=1S/C23H14F3N3O2.C21H20F3N3O2.C19H15F3N4O2.3C18H12F3N3O2.C17H11F3N4O2.C17H10F3N3O2/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;1-14-3-2-11-27(14)12-10-25-20-18-13-16(6-9-19(18)29-26-20)15-4-7-17(8-5-15)28-21(22,23)24;20-19(21,22)27-15-5-2-13(3-6-15)14-4-7-17-16(12-14)18(25-28-17)23-9-11-26-10-1-8-24-26;2*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;1-11-22-8-9-24(11)17-15-10-13(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;18-17(19,20)24-13-5-2-11(3-6-13)12-4-7-15-14(10-12)16(22-25-15)23-9-1-8-21-23/h1-14H;4-9,13H,1-3,10-12H2,(H,25,26);1-8,10,12H,9,11H2,(H,23,25);3*2-10H,1H3;2-9H,1H3;1-10H
• InChIKey: AYQYXTAWXWWMHF-UHFFFAOYSA-N
• XLogP: 39.89
• TPSA: 447.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 42
• Rotatable Bonds: 31
• Heavy Atoms: 217
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2996.63
LogP ≤ 5	39.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylidenepyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-(2-methylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;bis(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;N-(2-pyrazol-1-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-pyrazol-1-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole?

The IUPAC name of N-[2-(2-methylidenepyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-(2-methylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;bis(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;N-(2-pyrazol-1-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-pyrazol-1-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole (CID 157272140) is N-[2-(2-methylidenepyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-(2-methylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;bis(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;N-(2-pyrazol-1-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-pyrazol-1-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole.

What is the SMILES notation for N-[2-(2-methylidenepyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-(2-methylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;bis(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;N-(2-pyrazol-1-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-pyrazol-1-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole?

The canonical SMILES for N-[2-(2-methylidenepyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-(2-methylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;bis(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;N-(2-pyrazol-1-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-pyrazol-1-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole is C=C1CCCN1CCNc1noc2ccc(-c3ccc(OC(F)(F)F)cc3)cc12.Cc1cn(-c2noc3ccc(-c4ccc(OC(F)(F)F)cc4)cc23)cn1.Cc1cn(-c2noc3ccc(-c4ccc(OC(F)(F)F)cc4)cc23)cn1.Cc1nccn1-c1noc2ccc(-c3ccc(OC(F)(F)F)cc3)cc12.Cc1ncn(-c2noc3ccc(-c4ccc(OC(F)(F)F)cc4)cc23)n1.FC(F)(F)Oc1ccc(-c2ccc3onc(-n4cccn4)c3c2)cc1.FC(F)(F)Oc1ccc(-c2ccc3onc(-n4cnc(-c5ccccc5)c4)c3c2)cc1.FC(F)(F)Oc1ccc(-c2ccc3onc(NCCn4cccn4)c3c2)cc1.

What is the InChIKey of N-[2-(2-methylidenepyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-(2-methylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;bis(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;N-(2-pyrazol-1-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-pyrazol-1-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole?

The InChIKey is AYQYXTAWXWWMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F3N3O2.C21H20F3N3O2.C19H15F3N4O2.3C18H12F3N3O2.C17H11F3N4O2.C17H10F3N3O2/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;1-14-3-2-11-27(14)12-10-25-20-18-13-16(6-9-19(18)29-26-20)15-4-7-17(8-5-15)28-21(22,23)24;20-19(21,22)27-15-5-2-13(3-6-15)14-4-7-17-16(12-14)18(25-28-17)23-9-11-26-10-1-8-24-26;2*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;1-11-22-8-9-24(11)17-15-10-13(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;18-17(19,20)24-13-5-2-11(3-6-13)12-4-7-15-14(10-12)16(22-25-15)23-9-1-8-21-23/h1-14H;4-9,13H,1-3,10-12H2,(H,25,26);1-8,10,12H,9,11H2,(H,23,25);3*2-10H,1H3;2-9H,1H3;1-10H.

What are the key properties of N-[2-(2-methylidenepyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-(2-methylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;bis(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;N-(2-pyrazol-1-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-pyrazol-1-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole?

N-[2-(2-methylidenepyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-(2-methylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;bis(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;N-(2-pyrazol-1-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-pyrazol-1-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole has a molecular weight of 2996.63 g/mol, XLogP of 39.89, 31 rotatable bonds, 2 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-methylidenepyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-(2-methylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;bis(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;N-(2-pyrazol-1-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-pyrazol-1-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole is sourced from PubChem (CID 157272140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).