N,N-dimethyl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;N-[2-(2-methylidenepyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;N-[[(2R)-5-methylidenepyrrolidin-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-(2-methylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(4-methylimidazol-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

C129H100F21N21O14 — CID 157312253

About N,N-dimethyl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;N-[2-(2-methylidenepyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;N-[[(2R)-5-methylidenepyrrolidin-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-(2-methylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(4-methylimidazol-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,N-dimethyl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;N-[2-(2-methylidenepyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;N-[[(2R)-5-methylidenepyrrolidin-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-(2-methylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(4-methylimidazol-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 157312253) has the molecular formula C129H100F21N21O14 and a molecular weight of 2567.31 g/mol. Its IUPAC name is N,N-dimethyl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;N-[2-(2-methylidenepyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;N-[[(2R)-5-methylidenepyrrolidin-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-(2-methylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(4-methylimidazol-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,N-dimethyl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;N-[2-(2-methylidenepyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;N-[[(2R)-5-methylidenepyrrolidin-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-(2-methylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(4-methylimidazol-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: 157312253
• Molecular Formula: C129H100F21N21O14
• Molecular Weight: 2567.31 g/mol
• Exact Mass: 2565.74
• IUPAC Name: N,N-dimethyl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;N-[2-(2-methylidenepyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;N-[[(2R)-5-methylidenepyrrolidin-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-(2-methylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(4-methylimidazol-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.C=C1CC[C@H](CNc2noc3ccc(-c4ccc(OC(F)(F)F)cc4)cc23)N1.CN(C)c1noc2ccc(-c3ccc(OC(F)(F)F)cc3)cc12.Cc1cn(-c2noc3ccc(-c4ccc(OC(F)(F)F)cc4)cc23)cn1.Cc1nccn1-c1noc2ccc(-c3ccc(OC(F)(F)F)cc3)cc12.FC(F)(F)Oc1ccc(-c2ccc3onc(-n4cccn4)c3c2)cc1.FC(F)(F)Oc1ccc(-c2ccc3onc(NCCn4cccn4)c3c2)cc1
• InChI: InChI=1S/C21H20F3N3O2.C20H18F3N3O2.C19H15F3N4O2.2C18H12F3N3O2.C17H10F3N3O2.C16H13F3N2O2/c1-14-3-2-11-27(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;1-12-2-6-15(25-12)11-24-19-17-10-14(5-9-18(17)28-26-19)13-3-7-16(8-4-13)27-20(21,22)23;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;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;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;1-21(2)15-13-9-11(5-8-14(13)23-20-15)10-3-6-12(7-4-10)22-16(17,18)19/h4-9,13H,1-3,10-12H2,(H,25,26);3-5,7-10,15,25H,1-2,6,11H2,(H,24,26);1-8,10,12H,9,11H2,(H,23,25);2*2-10H,1H3;1-10H;3-9H,1-2H3/t;15-;;;;;/m.1...../s1
• InChIKey: BDECTKKMAXZZJN-NIHDXEJESA-N
• XLogP: 34.00
• TPSA: 372.70 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 35
• Rotatable Bonds: 29
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2567.31
LogP ≤ 5	34.00
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;N-[2-(2-methylidenepyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;N-[[(2R)-5-methylidenepyrrolidin-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-(2-methylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(4-methylimidazol-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,N-dimethyl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;N-[2-(2-methylidenepyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;N-[[(2R)-5-methylidenepyrrolidin-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-(2-methylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(4-methylimidazol-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 157312253) is N,N-dimethyl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;N-[2-(2-methylidenepyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;N-[[(2R)-5-methylidenepyrrolidin-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-(2-methylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(4-methylimidazol-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,N-dimethyl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;N-[2-(2-methylidenepyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;N-[[(2R)-5-methylidenepyrrolidin-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-(2-methylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(4-methylimidazol-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,N-dimethyl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;N-[2-(2-methylidenepyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;N-[[(2R)-5-methylidenepyrrolidin-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-(2-methylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(4-methylimidazol-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.C=C1CC[C@H](CNc2noc3ccc(-c4ccc(OC(F)(F)F)cc4)cc23)N1.CN(C)c1noc2ccc(-c3ccc(OC(F)(F)F)cc3)cc12.Cc1cn(-c2noc3ccc(-c4ccc(OC(F)(F)F)cc4)cc23)cn1.Cc1nccn1-c1noc2ccc(-c3ccc(OC(F)(F)F)cc3)cc12.FC(F)(F)Oc1ccc(-c2ccc3onc(-n4cccn4)c3c2)cc1.FC(F)(F)Oc1ccc(-c2ccc3onc(NCCn4cccn4)c3c2)cc1.

What is the InChIKey of N,N-dimethyl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;N-[2-(2-methylidenepyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;N-[[(2R)-5-methylidenepyrrolidin-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-(2-methylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(4-methylimidazol-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 BDECTKKMAXZZJN-NIHDXEJESA-N. The full InChI is InChI=1S/C21H20F3N3O2.C20H18F3N3O2.C19H15F3N4O2.2C18H12F3N3O2.C17H10F3N3O2.C16H13F3N2O2/c1-14-3-2-11-27(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;1-12-2-6-15(25-12)11-24-19-17-10-14(5-9-18(17)28-26-19)13-3-7-16(8-4-13)27-20(21,22)23;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;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;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;1-21(2)15-13-9-11(5-8-14(13)23-20-15)10-3-6-12(7-4-10)22-16(17,18)19/h4-9,13H,1-3,10-12H2,(H,25,26);3-5,7-10,15,25H,1-2,6,11H2,(H,24,26);1-8,10,12H,9,11H2,(H,23,25);2*2-10H,1H3;1-10H;3-9H,1-2H3/t;15-;;;;;/m.1...../s1.

What are the key properties of N,N-dimethyl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;N-[2-(2-methylidenepyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;N-[[(2R)-5-methylidenepyrrolidin-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-(2-methylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(4-methylimidazol-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,N-dimethyl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;N-[2-(2-methylidenepyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;N-[[(2R)-5-methylidenepyrrolidin-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-(2-methylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(4-methylimidazol-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 2567.31 g/mol, XLogP of 34.00, 29 rotatable bonds, 4 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;N-[2-(2-methylidenepyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;N-[[(2R)-5-methylidenepyrrolidin-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-(2-methylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(4-methylimidazol-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 157312253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).