N-(4-chloro-3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;5-[4-[(2-chloro-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(4-chloropyrimidin-2-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;N-(3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[4-[5-(3-methylanilino)-1,3,4-oxadiazol-2-yl]phenoxy]pyridine-3-sulfonamide;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine;N-(3-methylphenyl)-5-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-1,3,4-oxadiazol-2-amine;5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazol-3-amine

C193H163Cl3N44O17S — CID 159256718

IUPACN-(4-chloro-3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;5-[4-[(2-chloro-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(4-chloropyrimidin-2-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;N-(3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[4-[5-(3-methylanilino)-1,3,4-oxadiazol-2-yl]phenoxy]pyridine-3-sulfonamide;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine;N-(3-methylphenyl)-5-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-1,3,4-oxadiazol-2-amine;5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazol-3-amine
SMILESCOc1ccc2c(Oc3ccc(-c4nc(Nc5cccc(C)c5)n[nH]4)cc3)ccnc2c1.Cc1cc(C)cc(Nc2n[nH]c(-c3ccc(Oc4ccnc(C)c4)cc3)n2)c1.Cc1cc(Oc2ccc(-c3nc(Nc4cc(C)c(Cl)c(C)c4)n[nH]3)cc2)ccn1.Cc1cc(Oc2ccc(-c3nc(Nc4cccc5c4CCCC5)n[nH]3)cc2)ccn1.Cc1cccc(Nc2nnc(-c3ccc(Oc4ccnc(Cl)c4)cc3)o2)c1.Cc1cccc(Nc2nnc(-c3ccc(Oc4ccncc4)cc3)o2)c1.Cc1cccc(Nc2nnc(-c3ccc(Oc4ccncc4S(N)(=O)=O)cc3)o2)c1.Cc1cccc(Nc2nnc(-c3ccc(Oc4nccc(Cl)n4)cc3)o2)c1.Cc1cccc(Nc2nnc(-c3ccc(Oc4ncnc5[nH]ccc45)cc3)o2)c1
InChIInChI=1S/C25H21N5O2.C24H23N5O.C22H20ClN5O.C22H21N5O.C21H16N6O2.C20H15ClN4O2.C20H17N5O4S.C20H16N4O2.C19H14ClN5O2/c1-16-4-3-5-18(14-16)27-25-28-24(29-30-25)17-6-8-19(9-7-17)32-23-12-13-26-22-15-20(31-2)10-11-21(22)23;1-16-15-20(13-14-25-16)30-19-11-9-18(10-12-19)23-27-24(29-28-23)26-22-8-4-6-17-5-2-3-7-21(17)22;1-13-10-17(11-14(2)20(13)23)25-22-26-21(27-28-22)16-4-6-18(7-5-16)29-19-8-9-24-15(3)12-19;1-14-10-15(2)12-18(11-14)24-22-25-21(26-27-22)17-4-6-19(7-5-17)28-20-8-9-23-16(3)13-20;1-13-3-2-4-15(11-13)25-21-27-26-19(29-21)14-5-7-16(8-6-14)28-20-17-9-10-22-18(17)23-12-24-20;1-13-3-2-4-15(11-13)23-20-25-24-19(27-20)14-5-7-16(8-6-14)26-17-9-10-22-18(21)12-17;1-13-3-2-4-15(11-13)23-20-25-24-19(29-20)14-5-7-16(8-6-14)28-17-9-10-22-12-18(17)30(21,26)27;1-14-3-2-4-16(13-14)22-20-24-23-19(26-20)15-5-7-17(8-6-15)25-18-9-11-21-12-10-18;1-12-3-2-4-14(11-12)22-19-25-24-17(27-19)13-5-7-15(8-6-13)26-18-21-10-9-16(20)23-18/h3-15H,1-2H3,(H2,27,28,29,30);4,6,8-15H,2-3,5,7H2,1H3,(H2,26,27,28,29);4-12H,1-3H3,(H2,25,26,27,28);4-13H,1-3H3,(H2,24,25,26,27);2-12H,1H3,(H,25,27)(H,22,23,24);2-12H,1H3,(H,23,25);2-12H,1H3,(H,23,25)(H2,21,26,27);2-13H,1H3,(H,22,24);2-11H,1H3,(H,22,25)
InChIKeyKVZJQROAFRBCTA-UHFFFAOYSA-N
MW3509.14 g/mol
LogP46.88
Rot. Bonds47

About N-(4-chloro-3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;5-[4-[(2-chloro-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(4-chloropyrimidin-2-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;N-(3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[4-[5-(3-methylanilino)-1,3,4-oxadiazol-2-yl]phenoxy]pyridine-3-sulfonamide;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine;N-(3-methylphenyl)-5-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-1,3,4-oxadiazol-2-amine;5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazol-3-amine

N-(4-chloro-3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;5-[4-[(2-chloro-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(4-chloropyrimidin-2-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;N-(3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[4-[5-(3-methylanilino)-1,3,4-oxadiazol-2-yl]phenoxy]pyridine-3-sulfonamide;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine;N-(3-methylphenyl)-5-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-1,3,4-oxadiazol-2-amine;5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazol-3-amine (PubChem CID 159256718) has the molecular formula C193H163Cl3N44O17S and a molecular weight of 3509.14 g/mol. Its IUPAC name is N-(4-chloro-3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;5-[4-[(2-chloro-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(4-chloropyrimidin-2-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;N-(3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[4-[5-(3-methylanilino)-1,3,4-oxadiazol-2-yl]phenoxy]pyridine-3-sulfonamide;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine;N-(3-methylphenyl)-5-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-1,3,4-oxadiazol-2-amine;5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-(4-chloro-3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;5-[4-[(2-chloro-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(4-chloropyrimidin-2-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;N-(3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[4-[5-(3-methylanilino)-1,3,4-oxadiazol-2-yl]phenoxy]pyridine-3-sulfonamide;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine;N-(3-methylphenyl)-5-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-1,3,4-oxadiazol-2-amine;5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazol-3-amine
PubChem CID159256718
Molecular FormulaC193H163Cl3N44O17S
Molecular Weight3509.14 g/mol
Exact Mass3505.20
IUPAC NameN-(4-chloro-3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;5-[4-[(2-chloro-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(4-chloropyrimidin-2-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;N-(3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[4-[5-(3-methylanilino)-1,3,4-oxadiazol-2-yl]phenoxy]pyridine-3-sulfonamide;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine;N-(3-methylphenyl)-5-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-1,3,4-oxadiazol-2-amine;5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazol-3-amine
SMILESCOc1ccc2c(Oc3ccc(-c4nc(Nc5cccc(C)c5)n[nH]4)cc3)ccnc2c1.Cc1cc(C)cc(Nc2n[nH]c(-c3ccc(Oc4ccnc(C)c4)cc3)n2)c1.Cc1cc(Oc2ccc(-c3nc(Nc4cc(C)c(Cl)c(C)c4)n[nH]3)cc2)ccn1.Cc1cc(Oc2ccc(-c3nc(Nc4cccc5c4CCCC5)n[nH]3)cc2)ccn1.Cc1cccc(Nc2nnc(-c3ccc(Oc4ccnc(Cl)c4)cc3)o2)c1.Cc1cccc(Nc2nnc(-c3ccc(Oc4ccncc4)cc3)o2)c1.Cc1cccc(Nc2nnc(-c3ccc(Oc4ccncc4S(N)(=O)=O)cc3)o2)c1.Cc1cccc(Nc2nnc(-c3ccc(Oc4nccc(Cl)n4)cc3)o2)c1.Cc1cccc(Nc2nnc(-c3ccc(Oc4ncnc5[nH]ccc45)cc3)o2)c1
InChIInChI=1S/C25H21N5O2.C24H23N5O.C22H20ClN5O.C22H21N5O.C21H16N6O2.C20H15ClN4O2.C20H17N5O4S.C20H16N4O2.C19H14ClN5O2/c1-16-4-3-5-18(14-16)27-25-28-24(29-30-25)17-6-8-19(9-7-17)32-23-12-13-26-22-15-20(31-2)10-11-21(22)23;1-16-15-20(13-14-25-16)30-19-11-9-18(10-12-19)23-27-24(29-28-23)26-22-8-4-6-17-5-2-3-7-21(17)22;1-13-10-17(11-14(2)20(13)23)25-22-26-21(27-28-22)16-4-6-18(7-5-16)29-19-8-9-24-15(3)12-19;1-14-10-15(2)12-18(11-14)24-22-25-21(26-27-22)17-4-6-19(7-5-17)28-20-8-9-23-16(3)13-20;1-13-3-2-4-15(11-13)25-21-27-26-19(29-21)14-5-7-16(8-6-14)28-20-17-9-10-22-18(17)23-12-24-20;1-13-3-2-4-15(11-13)23-20-25-24-19(27-20)14-5-7-16(8-6-14)26-17-9-10-22-18(21)12-17;1-13-3-2-4-15(11-13)23-20-25-24-19(29-20)14-5-7-16(8-6-14)28-17-9-10-22-12-18(17)30(21,26)27;1-14-3-2-4-16(13-14)22-20-24-23-19(26-20)15-5-7-17(8-6-15)25-18-9-11-21-12-10-18;1-12-3-2-4-14(11-12)22-19-25-24-17(27-19)13-5-7-15(8-6-13)26-18-21-10-9-16(20)23-18/h3-15H,1-2H3,(H2,27,28,29,30);4,6,8-15H,2-3,5,7H2,1H3,(H2,26,27,28,29);4-12H,1-3H3,(H2,25,26,27,28);4-13H,1-3H3,(H2,24,25,26,27);2-12H,1H3,(H,25,27)(H,22,23,24);2-12H,1H3,(H,23,25);2-12H,1H3,(H,23,25)(H2,21,26,27);2-13H,1H3,(H,22,24);2-11H,1H3,(H,22,25)
InChIKeyKVZJQROAFRBCTA-UHFFFAOYSA-N
XLogP46.88
TPSA779.19 Ų
H-Bond Donors15
H-Bond Acceptors55
Rotatable Bonds47
Heavy Atoms258
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003509.14
LogP ≤ 546.88
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1055

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-(4-chloro-3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;5-[4-[(2-chloro-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(4-chloropyrimidin-2-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;N-(3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[4-[5-(3-methylanilino)-1,3,4-oxadiazol-2-yl]phenoxy]pyridine-3-sulfonamide;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine;N-(3-methylphenyl)-5-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-1,3,4-oxadiazol-2-amine;5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazol-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;5-[4-[(2-chloro-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(4-chloropyrimidin-2-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;N-(3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[4-[5-(3-methylanilino)-1,3,4-oxadiazol-2-yl]phenoxy]pyridine-3-sulfonamide;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine;N-(3-methylphenyl)-5-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-1,3,4-oxadiazol-2-amine;5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of N-(4-chloro-3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;5-[4-[(2-chloro-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(4-chloropyrimidin-2-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;N-(3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[4-[5-(3-methylanilino)-1,3,4-oxadiazol-2-yl]phenoxy]pyridine-3-sulfonamide;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine;N-(3-methylphenyl)-5-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-1,3,4-oxadiazol-2-amine;5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazol-3-amine (CID 159256718) is N-(4-chloro-3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;5-[4-[(2-chloro-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(4-chloropyrimidin-2-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;N-(3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[4-[5-(3-methylanilino)-1,3,4-oxadiazol-2-yl]phenoxy]pyridine-3-sulfonamide;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine;N-(3-methylphenyl)-5-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-1,3,4-oxadiazol-2-amine;5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for N-(4-chloro-3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;5-[4-[(2-chloro-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(4-chloropyrimidin-2-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;N-(3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[4-[5-(3-methylanilino)-1,3,4-oxadiazol-2-yl]phenoxy]pyridine-3-sulfonamide;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine;N-(3-methylphenyl)-5-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-1,3,4-oxadiazol-2-amine;5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for N-(4-chloro-3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;5-[4-[(2-chloro-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(4-chloropyrimidin-2-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;N-(3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[4-[5-(3-methylanilino)-1,3,4-oxadiazol-2-yl]phenoxy]pyridine-3-sulfonamide;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine;N-(3-methylphenyl)-5-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-1,3,4-oxadiazol-2-amine;5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazol-3-amine is COc1ccc2c(Oc3ccc(-c4nc(Nc5cccc(C)c5)n[nH]4)cc3)ccnc2c1.Cc1cc(C)cc(Nc2n[nH]c(-c3ccc(Oc4ccnc(C)c4)cc3)n2)c1.Cc1cc(Oc2ccc(-c3nc(Nc4cc(C)c(Cl)c(C)c4)n[nH]3)cc2)ccn1.Cc1cc(Oc2ccc(-c3nc(Nc4cccc5c4CCCC5)n[nH]3)cc2)ccn1.Cc1cccc(Nc2nnc(-c3ccc(Oc4ccnc(Cl)c4)cc3)o2)c1.Cc1cccc(Nc2nnc(-c3ccc(Oc4ccncc4)cc3)o2)c1.Cc1cccc(Nc2nnc(-c3ccc(Oc4ccncc4S(N)(=O)=O)cc3)o2)c1.Cc1cccc(Nc2nnc(-c3ccc(Oc4nccc(Cl)n4)cc3)o2)c1.Cc1cccc(Nc2nnc(-c3ccc(Oc4ncnc5[nH]ccc45)cc3)o2)c1.
What is the InChIKey of N-(4-chloro-3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;5-[4-[(2-chloro-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(4-chloropyrimidin-2-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;N-(3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[4-[5-(3-methylanilino)-1,3,4-oxadiazol-2-yl]phenoxy]pyridine-3-sulfonamide;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine;N-(3-methylphenyl)-5-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-1,3,4-oxadiazol-2-amine;5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazol-3-amine?
The InChIKey is KVZJQROAFRBCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O2.C24H23N5O.C22H20ClN5O.C22H21N5O.C21H16N6O2.C20H15ClN4O2.C20H17N5O4S.C20H16N4O2.C19H14ClN5O2/c1-16-4-3-5-18(14-16)27-25-28-24(29-30-25)17-6-8-19(9-7-17)32-23-12-13-26-22-15-20(31-2)10-11-21(22)23;1-16-15-20(13-14-25-16)30-19-11-9-18(10-12-19)23-27-24(29-28-23)26-22-8-4-6-17-5-2-3-7-21(17)22;1-13-10-17(11-14(2)20(13)23)25-22-26-21(27-28-22)16-4-6-18(7-5-16)29-19-8-9-24-15(3)12-19;1-14-10-15(2)12-18(11-14)24-22-25-21(26-27-22)17-4-6-19(7-5-17)28-20-8-9-23-16(3)13-20;1-13-3-2-4-15(11-13)25-21-27-26-19(29-21)14-5-7-16(8-6-14)28-20-17-9-10-22-18(17)23-12-24-20;1-13-3-2-4-15(11-13)23-20-25-24-19(27-20)14-5-7-16(8-6-14)26-17-9-10-22-18(21)12-17;1-13-3-2-4-15(11-13)23-20-25-24-19(29-20)14-5-7-16(8-6-14)28-17-9-10-22-12-18(17)30(21,26)27;1-14-3-2-4-16(13-14)22-20-24-23-19(26-20)15-5-7-17(8-6-15)25-18-9-11-21-12-10-18;1-12-3-2-4-14(11-12)22-19-25-24-17(27-19)13-5-7-15(8-6-13)26-18-21-10-9-16(20)23-18/h3-15H,1-2H3,(H2,27,28,29,30);4,6,8-15H,2-3,5,7H2,1H3,(H2,26,27,28,29);4-12H,1-3H3,(H2,25,26,27,28);4-13H,1-3H3,(H2,24,25,26,27);2-12H,1H3,(H,25,27)(H,22,23,24);2-12H,1H3,(H,23,25);2-12H,1H3,(H,23,25)(H2,21,26,27);2-13H,1H3,(H,22,24);2-11H,1H3,(H,22,25).
What are the key properties of N-(4-chloro-3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;5-[4-[(2-chloro-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(4-chloropyrimidin-2-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;N-(3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[4-[5-(3-methylanilino)-1,3,4-oxadiazol-2-yl]phenoxy]pyridine-3-sulfonamide;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine;N-(3-methylphenyl)-5-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-1,3,4-oxadiazol-2-amine;5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazol-3-amine?
N-(4-chloro-3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;5-[4-[(2-chloro-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(4-chloropyrimidin-2-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;N-(3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[4-[5-(3-methylanilino)-1,3,4-oxadiazol-2-yl]phenoxy]pyridine-3-sulfonamide;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine;N-(3-methylphenyl)-5-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-1,3,4-oxadiazol-2-amine;5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazol-3-amine has a molecular weight of 3509.14 g/mol, XLogP of 46.88, 47 rotatable bonds, 15 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;5-[4-[(2-chloro-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(4-chloropyrimidin-2-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;N-(3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[4-[5-(3-methylanilino)-1,3,4-oxadiazol-2-yl]phenoxy]pyridine-3-sulfonamide;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine;N-(3-methylphenyl)-5-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-1,3,4-oxadiazol-2-amine;5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 159256718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).