4-[4-[5-[4-chloro-3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]-N-methylpyridine-2-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-pyridin-3-yloxyphenyl)-1,3,4-oxadiazol-2-amine;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-pyridin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-pyrimidin-5-yloxyphenyl)-1,3,4-oxadiazol-2-amine;6-[4-[[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]pyrimidine-2,4-diamine

C120H77Cl6F18N31O11 — CID 159264020

About 4-[4-[5-[4-chloro-3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]-N-methylpyridine-2-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-pyridin-3-yloxyphenyl)-1,3,4-oxadiazol-2-amine;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-pyridin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-pyrimidin-5-yloxyphenyl)-1,3,4-oxadiazol-2-amine;6-[4-[[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]pyrimidine-2,4-diamine

4-[4-[5-[4-chloro-3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]-N-methylpyridine-2-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-pyridin-3-yloxyphenyl)-1,3,4-oxadiazol-2-amine;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-pyridin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-pyrimidin-5-yloxyphenyl)-1,3,4-oxadiazol-2-amine;6-[4-[[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]pyrimidine-2,4-diamine (PubChem CID 159264020) has the molecular formula C120H77Cl6F18N31O11 and a molecular weight of 2683.82 g/mol. Its IUPAC name is 4-[4-[5-[4-chloro-3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]-N-methylpyridine-2-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-pyridin-3-yloxyphenyl)-1,3,4-oxadiazol-2-amine;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-pyridin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-pyrimidin-5-yloxyphenyl)-1,3,4-oxadiazol-2-amine;6-[4-[[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 4-[4-[5-[4-chloro-3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]-N-methylpyridine-2-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-pyridin-3-yloxyphenyl)-1,3,4-oxadiazol-2-amine;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-pyridin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-pyrimidin-5-yloxyphenyl)-1,3,4-oxadiazol-2-amine;6-[4-[[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]pyrimidine-2,4-diamine
• PubChem CID: 159264020
• Molecular Formula: C120H77Cl6F18N31O11
• Molecular Weight: 2683.82 g/mol
• Exact Mass: 2679.43
• IUPAC Name: 4-[4-[5-[4-chloro-3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]-N-methylpyridine-2-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-pyridin-3-yloxyphenyl)-1,3,4-oxadiazol-2-amine;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-pyridin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-pyrimidin-5-yloxyphenyl)-1,3,4-oxadiazol-2-amine;6-[4-[[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]pyrimidine-2,4-diamine
• SMILES: CNC(=O)c1cc(Oc2ccc(-c3nnc(Nc4ccc(Cl)c(C(F)(F)F)c4)o3)cc2)ccn1.FC(F)(F)c1cc(-c2nc(Nc3ccc(Oc4ccncc4)cc3)n[nH]2)ccc1Cl.FC(F)(F)c1cc(Nc2nnc(-c3ccc(Oc4cccnc4)cc3)o2)ccc1Cl.FC(F)(F)c1cc(Nc2nnc(-c3ccc(Oc4ccncc4)cc3)o2)ccc1Cl.FC(F)(F)c1cc(Nc2nnc(-c3ccc(Oc4cncnc4)cc3)o2)ccc1Cl.Nc1cc(Oc2ccc(Nc3n[nH]c(-c4ccc(Cl)c(C(F)(F)F)c4)n3)cc2)nc(N)n1
• InChI: InChI=1S/C22H15ClF3N5O3.C20H13ClF3N5O.2C20H12ClF3N4O2.C19H14ClF3N8O.C19H11ClF3N5O2/c1-27-19(32)18-11-15(8-9-28-18)33-14-5-2-12(3-6-14)20-30-31-21(34-20)29-13-4-7-17(23)16(10-13)22(24,25)26;21-17-6-1-12(11-16(17)20(22,23)24)18-27-19(29-28-18)26-13-2-4-14(5-3-13)30-15-7-9-25-10-8-15;21-17-6-3-13(11-16(17)20(22,23)24)26-19-28-27-18(30-19)12-1-4-14(5-2-12)29-15-7-9-25-10-8-15;21-17-8-5-13(10-16(17)20(22,23)24)26-19-28-27-18(30-19)12-3-6-14(7-4-12)29-15-2-1-9-25-11-15;20-13-6-1-9(7-12(13)19(21,22)23)16-29-18(31-30-16)26-10-2-4-11(5-3-10)32-15-8-14(24)27-17(25)28-15;20-16-6-3-12(7-15(16)19(21,22)23)26-18-28-27-17(30-18)11-1-4-13(5-2-11)29-14-8-24-10-25-9-14/h2-11H,1H3,(H,27,32)(H,29,31);1-11H,(H2,26,27,28,29);2*1-11H,(H,26,28);1-8H,(H4,24,25,27,28)(H2,26,29,30,31);1-10H,(H,26,28)
• InChIKey: KWWGCILFWDATBQ-UHFFFAOYSA-N
• XLogP: 34.82
• TPSA: 550.64 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 39
• Rotatable Bonds: 31
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2683.82
LogP ≤ 5	34.82
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-[4-chloro-3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]-N-methylpyridine-2-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-pyridin-3-yloxyphenyl)-1,3,4-oxadiazol-2-amine;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-pyridin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-pyrimidin-5-yloxyphenyl)-1,3,4-oxadiazol-2-amine;6-[4-[[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]pyrimidine-2,4-diamine?

The IUPAC name of 4-[4-[5-[4-chloro-3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]-N-methylpyridine-2-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-pyridin-3-yloxyphenyl)-1,3,4-oxadiazol-2-amine;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-pyridin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-pyrimidin-5-yloxyphenyl)-1,3,4-oxadiazol-2-amine;6-[4-[[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]pyrimidine-2,4-diamine (CID 159264020) is 4-[4-[5-[4-chloro-3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]-N-methylpyridine-2-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-pyridin-3-yloxyphenyl)-1,3,4-oxadiazol-2-amine;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-pyridin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-pyrimidin-5-yloxyphenyl)-1,3,4-oxadiazol-2-amine;6-[4-[[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]pyrimidine-2,4-diamine.

What is the SMILES notation for 4-[4-[5-[4-chloro-3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]-N-methylpyridine-2-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-pyridin-3-yloxyphenyl)-1,3,4-oxadiazol-2-amine;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-pyridin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-pyrimidin-5-yloxyphenyl)-1,3,4-oxadiazol-2-amine;6-[4-[[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]pyrimidine-2,4-diamine?

The canonical SMILES for 4-[4-[5-[4-chloro-3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]-N-methylpyridine-2-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-pyridin-3-yloxyphenyl)-1,3,4-oxadiazol-2-amine;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-pyridin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-pyrimidin-5-yloxyphenyl)-1,3,4-oxadiazol-2-amine;6-[4-[[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]pyrimidine-2,4-diamine is CNC(=O)c1cc(Oc2ccc(-c3nnc(Nc4ccc(Cl)c(C(F)(F)F)c4)o3)cc2)ccn1.FC(F)(F)c1cc(-c2nc(Nc3ccc(Oc4ccncc4)cc3)n[nH]2)ccc1Cl.FC(F)(F)c1cc(Nc2nnc(-c3ccc(Oc4cccnc4)cc3)o2)ccc1Cl.FC(F)(F)c1cc(Nc2nnc(-c3ccc(Oc4ccncc4)cc3)o2)ccc1Cl.FC(F)(F)c1cc(Nc2nnc(-c3ccc(Oc4cncnc4)cc3)o2)ccc1Cl.Nc1cc(Oc2ccc(Nc3n[nH]c(-c4ccc(Cl)c(C(F)(F)F)c4)n3)cc2)nc(N)n1.

What is the InChIKey of 4-[4-[5-[4-chloro-3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]-N-methylpyridine-2-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-pyridin-3-yloxyphenyl)-1,3,4-oxadiazol-2-amine;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-pyridin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-pyrimidin-5-yloxyphenyl)-1,3,4-oxadiazol-2-amine;6-[4-[[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]pyrimidine-2,4-diamine?

The InChIKey is KWWGCILFWDATBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF3N5O3.C20H13ClF3N5O.2C20H12ClF3N4O2.C19H14ClF3N8O.C19H11ClF3N5O2/c1-27-19(32)18-11-15(8-9-28-18)33-14-5-2-12(3-6-14)20-30-31-21(34-20)29-13-4-7-17(23)16(10-13)22(24,25)26;21-17-6-1-12(11-16(17)20(22,23)24)18-27-19(29-28-18)26-13-2-4-14(5-3-13)30-15-7-9-25-10-8-15;21-17-6-3-13(11-16(17)20(22,23)24)26-19-28-27-18(30-19)12-1-4-14(5-2-12)29-15-7-9-25-10-8-15;21-17-8-5-13(10-16(17)20(22,23)24)26-19-28-27-18(30-19)12-3-6-14(7-4-12)29-15-2-1-9-25-11-15;20-13-6-1-9(7-12(13)19(21,22)23)16-29-18(31-30-16)26-10-2-4-11(5-3-10)32-15-8-14(24)27-17(25)28-15;20-16-6-3-12(7-15(16)19(21,22)23)26-18-28-27-17(30-18)11-1-4-13(5-2-11)29-14-8-24-10-25-9-14/h2-11H,1H3,(H,27,32)(H,29,31);1-11H,(H2,26,27,28,29);2*1-11H,(H,26,28);1-8H,(H4,24,25,27,28)(H2,26,29,30,31);1-10H,(H,26,28).

What are the key properties of 4-[4-[5-[4-chloro-3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]-N-methylpyridine-2-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-pyridin-3-yloxyphenyl)-1,3,4-oxadiazol-2-amine;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-pyridin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-pyrimidin-5-yloxyphenyl)-1,3,4-oxadiazol-2-amine;6-[4-[[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]pyrimidine-2,4-diamine?

4-[4-[5-[4-chloro-3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]-N-methylpyridine-2-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-pyridin-3-yloxyphenyl)-1,3,4-oxadiazol-2-amine;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-pyridin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-pyrimidin-5-yloxyphenyl)-1,3,4-oxadiazol-2-amine;6-[4-[[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]pyrimidine-2,4-diamine has a molecular weight of 2683.82 g/mol, XLogP of 34.82, 31 rotatable bonds, 11 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[5-[4-chloro-3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]-N-methylpyridine-2-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-pyridin-3-yloxyphenyl)-1,3,4-oxadiazol-2-amine;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-pyridin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-pyrimidin-5-yloxyphenyl)-1,3,4-oxadiazol-2-amine;6-[4-[[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]pyrimidine-2,4-diamine is sourced from PubChem (CID 159264020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).