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

C137H91Cl5F21N41O12 — CID 158051645

IUPAC4-[4-[5-[4-chloro-3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]-N-methylpyridine-2-carboxamide;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-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;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyrimidin-5-yloxyphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]pyrimidine-2,4-diamine;5-(4-pyrimidin-5-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine;6-[4-[5-[3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine
SMILESCNC(=O)c1cc(Oc2ccc(-c3nnc(Nc4ccc(Cl)c(C(F)(F)F)c4)o3)cc2)ccn1.FC(F)(F)c1cc(-c2nc(Nc3ccc(Oc4cccnc4)cc3)n[nH]2)ccc1Cl.FC(F)(F)c1cc(-c2nc(Nc3ccc(Oc4cncnc4)cc3)n[nH]2)ccc1Cl.FC(F)(F)c1cc(Nc2nnc(-c3ccc(Oc4cncnc4)cc3)o2)ccc1Cl.FC(F)(F)c1cccc(Nc2nnc(-c3ccc(Oc4cncnc4)cc3)o2)c1.Nc1cc(Oc2ccc(-c3nnc(Nc4cccc(C(F)(F)F)c4)o3)cc2)nc(N)n1.Nc1cc(Oc2ccc(Nc3n[nH]c(-c4ccc(Cl)c(C(F)(F)F)c4)n3)cc2)nc(N)n1
InChIInChI=1S/C22H15ClF3N5O3.C20H13ClF3N5O.C19H14ClF3N8O.C19H12ClF3N6O.C19H11ClF3N5O2.C19H14F3N7O2.C19H12F3N5O2/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;21-17-8-3-12(10-16(17)20(22,23)24)18-27-19(29-28-18)26-13-4-6-14(7-5-13)30-15-2-1-9-25-11-15;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;20-16-6-1-11(7-15(16)19(21,22)23)17-27-18(29-28-17)26-12-2-4-13(5-3-12)30-14-8-24-10-25-9-14;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;20-19(21,22)11-2-1-3-12(8-11)25-18-29-28-16(31-18)10-4-6-13(7-5-10)30-15-9-14(23)26-17(24)27-15;20-19(21,22)13-2-1-3-14(8-13)25-18-27-26-17(29-18)12-4-6-15(7-5-12)28-16-9-23-11-24-10-16/h2-11H,1H3,(H,27,32)(H,29,31);1-11H,(H2,26,27,28,29);1-8H,(H4,24,25,27,28)(H2,26,29,30,31);1-10H,(H2,26,27,28,29);1-10H,(H,26,28);1-9H,(H,25,29)(H4,23,24,26,27);1-11H,(H,25,27)
InChIKeyFJOCBHOJAPXWPH-UHFFFAOYSA-N
MW3079.73 g/mol
LogP36.94
Rot. Bonds36

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

4-[4-[5-[4-chloro-3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]-N-methylpyridine-2-carboxamide;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-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;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyrimidin-5-yloxyphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]pyrimidine-2,4-diamine;5-(4-pyrimidin-5-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine;6-[4-[5-[3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine (PubChem CID 158051645) has the molecular formula C137H91Cl5F21N41O12 and a molecular weight of 3079.73 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;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-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;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyrimidin-5-yloxyphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]pyrimidine-2,4-diamine;5-(4-pyrimidin-5-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine;6-[4-[5-[3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-[4-[5-[4-chloro-3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]-N-methylpyridine-2-carboxamide;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-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;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyrimidin-5-yloxyphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]pyrimidine-2,4-diamine;5-(4-pyrimidin-5-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine;6-[4-[5-[3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine
PubChem CID158051645
Molecular FormulaC137H91Cl5F21N41O12
Molecular Weight3079.73 g/mol
Exact Mass3075.59
IUPAC Name4-[4-[5-[4-chloro-3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]-N-methylpyridine-2-carboxamide;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-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;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyrimidin-5-yloxyphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]pyrimidine-2,4-diamine;5-(4-pyrimidin-5-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine;6-[4-[5-[3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine
SMILESCNC(=O)c1cc(Oc2ccc(-c3nnc(Nc4ccc(Cl)c(C(F)(F)F)c4)o3)cc2)ccn1.FC(F)(F)c1cc(-c2nc(Nc3ccc(Oc4cccnc4)cc3)n[nH]2)ccc1Cl.FC(F)(F)c1cc(-c2nc(Nc3ccc(Oc4cncnc4)cc3)n[nH]2)ccc1Cl.FC(F)(F)c1cc(Nc2nnc(-c3ccc(Oc4cncnc4)cc3)o2)ccc1Cl.FC(F)(F)c1cccc(Nc2nnc(-c3ccc(Oc4cncnc4)cc3)o2)c1.Nc1cc(Oc2ccc(-c3nnc(Nc4cccc(C(F)(F)F)c4)o3)cc2)nc(N)n1.Nc1cc(Oc2ccc(Nc3n[nH]c(-c4ccc(Cl)c(C(F)(F)F)c4)n3)cc2)nc(N)n1
InChIInChI=1S/C22H15ClF3N5O3.C20H13ClF3N5O.C19H14ClF3N8O.C19H12ClF3N6O.C19H11ClF3N5O2.C19H14F3N7O2.C19H12F3N5O2/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;21-17-8-3-12(10-16(17)20(22,23)24)18-27-19(29-28-18)26-13-4-6-14(7-5-13)30-15-2-1-9-25-11-15;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;20-16-6-1-11(7-15(16)19(21,22)23)17-27-18(29-28-17)26-12-2-4-13(5-3-12)30-14-8-24-10-25-9-14;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;20-19(21,22)11-2-1-3-12(8-11)25-18-29-28-16(31-18)10-4-6-13(7-5-10)30-15-9-14(23)26-17(24)27-15;20-19(21,22)13-2-1-3-14(8-13)25-18-27-26-17(29-18)12-4-6-15(7-5-12)28-16-9-23-11-24-10-16/h2-11H,1H3,(H,27,32)(H,29,31);1-11H,(H2,26,27,28,29);1-8H,(H4,24,25,27,28)(H2,26,29,30,31);1-10H,(H2,26,27,28,29);1-10H,(H,26,28);1-9H,(H,25,29)(H4,23,24,26,27);1-11H,(H,25,27)
InChIKeyFJOCBHOJAPXWPH-UHFFFAOYSA-N
XLogP36.94
TPSA717.07 Ų
H-Bond Donors15
H-Bond Acceptors49
Rotatable Bonds36
Heavy Atoms216
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003079.73
LogP ≤ 536.94
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1049

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

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Launch Full Analysis

Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-pyrimidin-5-yloxyphenyl)-1,3,4-oxadiazol-2-amine;2,2,2-trifluoroacetic acid
CID 86604288
6-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]-2-(trifluoromethylsulfanyl)pyrimidin-4-amine
CID 53371901
6-[4-[3-[4-(trifluoromethoxy)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidine-2,4-diamine
CID 59135308
4-[3-[2-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]hydrazinyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 11306141
[[6-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyridazin-3-yl]amino] 2,2,2-trifluoroacetate
CID 87538193
4-(2-aminoethylsulfanyl)-6-[4-[3-[3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine
CID 53475747
N-(4-chloro-3-methylphenyl)-5-(4-pyrimidin-5-yloxyphenyl)-1,3,4-oxadiazol-2-amine
CID 58624217
butanedioic acid;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 44598971
4-[4-[[2-[4-chloro-3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]-N-methylpyridine-2-carboxamide
CID 68784559
5-[4-[3-[3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]quinazolin-2-amine
CID 53477318
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;ethane;ethenylphosphane
CID 143776464
4-[[2-(3-tert-butylanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
CID 54584640

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;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-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;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyrimidin-5-yloxyphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]pyrimidine-2,4-diamine;5-(4-pyrimidin-5-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine;6-[4-[5-[3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]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;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-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;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyrimidin-5-yloxyphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]pyrimidine-2,4-diamine;5-(4-pyrimidin-5-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine;6-[4-[5-[3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine (CID 158051645) is 4-[4-[5-[4-chloro-3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]-N-methylpyridine-2-carboxamide;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-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;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyrimidin-5-yloxyphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]pyrimidine-2,4-diamine;5-(4-pyrimidin-5-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine;6-[4-[5-[3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]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;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-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;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyrimidin-5-yloxyphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]pyrimidine-2,4-diamine;5-(4-pyrimidin-5-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine;6-[4-[5-[3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]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;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-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;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyrimidin-5-yloxyphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]pyrimidine-2,4-diamine;5-(4-pyrimidin-5-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine;6-[4-[5-[3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]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(Oc4cccnc4)cc3)n[nH]2)ccc1Cl.FC(F)(F)c1cc(-c2nc(Nc3ccc(Oc4cncnc4)cc3)n[nH]2)ccc1Cl.FC(F)(F)c1cc(Nc2nnc(-c3ccc(Oc4cncnc4)cc3)o2)ccc1Cl.FC(F)(F)c1cccc(Nc2nnc(-c3ccc(Oc4cncnc4)cc3)o2)c1.Nc1cc(Oc2ccc(-c3nnc(Nc4cccc(C(F)(F)F)c4)o3)cc2)nc(N)n1.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;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-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;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyrimidin-5-yloxyphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]pyrimidine-2,4-diamine;5-(4-pyrimidin-5-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine;6-[4-[5-[3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine?
The InChIKey is FJOCBHOJAPXWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF3N5O3.C20H13ClF3N5O.C19H14ClF3N8O.C19H12ClF3N6O.C19H11ClF3N5O2.C19H14F3N7O2.C19H12F3N5O2/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;21-17-8-3-12(10-16(17)20(22,23)24)18-27-19(29-28-18)26-13-4-6-14(7-5-13)30-15-2-1-9-25-11-15;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;20-16-6-1-11(7-15(16)19(21,22)23)17-27-18(29-28-17)26-12-2-4-13(5-3-12)30-14-8-24-10-25-9-14;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;20-19(21,22)11-2-1-3-12(8-11)25-18-29-28-16(31-18)10-4-6-13(7-5-10)30-15-9-14(23)26-17(24)27-15;20-19(21,22)13-2-1-3-14(8-13)25-18-27-26-17(29-18)12-4-6-15(7-5-12)28-16-9-23-11-24-10-16/h2-11H,1H3,(H,27,32)(H,29,31);1-11H,(H2,26,27,28,29);1-8H,(H4,24,25,27,28)(H2,26,29,30,31);1-10H,(H2,26,27,28,29);1-10H,(H,26,28);1-9H,(H,25,29)(H4,23,24,26,27);1-11H,(H,25,27).
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;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-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;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyrimidin-5-yloxyphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]pyrimidine-2,4-diamine;5-(4-pyrimidin-5-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine;6-[4-[5-[3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine?
4-[4-[5-[4-chloro-3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]-N-methylpyridine-2-carboxamide;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-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;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyrimidin-5-yloxyphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]pyrimidine-2,4-diamine;5-(4-pyrimidin-5-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine;6-[4-[5-[3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine has a molecular weight of 3079.73 g/mol, XLogP of 36.94, 36 rotatable bonds, 15 hydrogen bond donors, and 49 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;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-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;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyrimidin-5-yloxyphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]pyrimidine-2,4-diamine;5-(4-pyrimidin-5-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine;6-[4-[5-[3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine is sourced from PubChem (CID 158051645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).