5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine

C45H38N10O5S — CID 159563754

IUPAC5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine
SMILESCOc1ccc2c(Oc3ccc(-c4nnc(Nc5cccc(C)c5)o4)cc3)ccnc2c1.CSc1nc(N)cc(Oc2ccc(-c3nnc(Nc4cccc(C)c4)o3)cc2)n1
InChIInChI=1S/C25H20N4O3.C20H18N6O2S/c1-16-4-3-5-18(14-16)27-25-29-28-24(32-25)17-6-8-19(9-7-17)31-23-12-13-26-22-15-20(30-2)10-11-21(22)23;1-12-4-3-5-14(10-12)22-19-26-25-18(28-19)13-6-8-15(9-7-13)27-17-11-16(21)23-20(24-17)29-2/h3-15H,1-2H3,(H,27,29);3-11H,1-2H3,(H,22,26)(H2,21,23,24)
InChIKeyMGYHWJFJFBJEHP-UHFFFAOYSA-N
MW830.93 g/mol
LogP10.81
Rot. Bonds12

About 5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine

5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 159563754) has the molecular formula C45H38N10O5S and a molecular weight of 830.93 g/mol. Its IUPAC name is 5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine
PubChem CID159563754
Molecular FormulaC45H38N10O5S
Molecular Weight830.93 g/mol
Exact Mass830.27
IUPAC Name5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine
SMILESCOc1ccc2c(Oc3ccc(-c4nnc(Nc5cccc(C)c5)o4)cc3)ccnc2c1.CSc1nc(N)cc(Oc2ccc(-c3nnc(Nc4cccc(C)c4)o3)cc2)n1
InChIInChI=1S/C25H20N4O3.C20H18N6O2S/c1-16-4-3-5-18(14-16)27-25-29-28-24(32-25)17-6-8-19(9-7-17)31-23-12-13-26-22-15-20(30-2)10-11-21(22)23;1-12-4-3-5-14(10-12)22-19-26-25-18(28-19)13-6-8-15(9-7-13)27-17-11-16(21)23-20(24-17)29-2/h3-15H,1-2H3,(H,27,29);3-11H,1-2H3,(H,22,26)(H2,21,23,24)
InChIKeyMGYHWJFJFBJEHP-UHFFFAOYSA-N
XLogP10.81
TPSA194.28 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500830.93
LogP ≤ 510.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Analyze 5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine with MolForge

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Related Compounds

5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 53476405
N-[3-(fluoromethyl)phenyl]-5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-1,3,4-oxadiazol-2-amine
CID 89568210
4-ethoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;5-[3-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;N-(3-methylphenyl)-5-[3-(2-methylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-[(2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(3-quinolin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine;N-(3-methylphenyl)-5-[3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]-1,3,4-oxadiazol-2-amine
CID 160743355
5-[3-(2-amino-6-methylpyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;4-ethoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;5-[3-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;N-(3-methylphenyl)-5-[3-(2-methylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-[(2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(3-quinolin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine;N-(3-methylphenyl)-5-[3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]-1,3,4-oxadiazol-2-amine
CID 160800393
5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine;2-ethoxy-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine
CID 161498994
5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 89567927
N-(3-methylphenyl)-5-(4-quinolin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine
CID 89567929
5-[3-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 89568059
5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-imidazol-2-amine;6-[4-[2-(3-methylanilino)-1H-imidazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine
CID 157412448
5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(6-aminopyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 160072852
5-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-[(2-methoxy-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinazolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]quinolin-2-amine;N-(3-methylphenyl)-5-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(4-quinolin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine
CID 160095217
4-ethoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;4-(2-methoxyethoxy)-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;5-[3-(7-methoxyquinazolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]quinolin-2-amine;4-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;N-(3-methylphenyl)-5-[3-(2-methylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-[(2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-1,3,4-oxadiazol-2-amine
CID 161193203

Frequently Asked Questions

What is the IUPAC name of 5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine (CID 159563754) is 5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine is COc1ccc2c(Oc3ccc(-c4nnc(Nc5cccc(C)c5)o4)cc3)ccnc2c1.CSc1nc(N)cc(Oc2ccc(-c3nnc(Nc4cccc(C)c4)o3)cc2)n1.
What is the InChIKey of 5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is MGYHWJFJFBJEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O3.C20H18N6O2S/c1-16-4-3-5-18(14-16)27-25-29-28-24(32-25)17-6-8-19(9-7-17)31-23-12-13-26-22-15-20(30-2)10-11-21(22)23;1-12-4-3-5-14(10-12)22-19-26-25-18(28-19)13-6-8-15(9-7-13)27-17-11-16(21)23-20(24-17)29-2/h3-15H,1-2H3,(H,27,29);3-11H,1-2H3,(H,22,26)(H2,21,23,24).
What are the key properties of 5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine?
5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 830.93 g/mol, XLogP of 10.81, 12 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 159563754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).