3-cyclopropyl-5-[4-[1-(5,6-dimethylpyridazin-4-yl)oxyethyl]phenyl]-1,2,4-oxadiazole;N-[1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-5,6-dimethylpyridazin-4-amine;N-[1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-6-fluoro-2-methylfuro[2,3-d]pyrimidin-4-amine;N-[1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-N,2,5,6-tetramethylpyrimidin-4-amine;3-cyclopropyl-5-[4-[1-(2,5,6-trimethylpyrimidin-4-yl)oxyethyl]phenyl]-1,2,4-oxadiazole;N-[1-[4-(1-methylazetidin-3-yl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine;N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine

C133H140FN33O8S2 — CID 167637775

About 3-cyclopropyl-5-[4-[1-(5,6-dimethylpyridazin-4-yl)oxyethyl]phenyl]-1,2,4-oxadiazole;N-[1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-5,6-dimethylpyridazin-4-amine;N-[1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-6-fluoro-2-methylfuro[2,3-d]pyrimidin-4-amine;N-[1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-N,2,5,6-tetramethylpyrimidin-4-amine;3-cyclopropyl-5-[4-[1-(2,5,6-trimethylpyrimidin-4-yl)oxyethyl]phenyl]-1,2,4-oxadiazole;N-[1-[4-(1-methylazetidin-3-yl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine;N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine

3-cyclopropyl-5-[4-[1-(5,6-dimethylpyridazin-4-yl)oxyethyl]phenyl]-1,2,4-oxadiazole;N-[1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-5,6-dimethylpyridazin-4-amine;N-[1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-6-fluoro-2-methylfuro[2,3-d]pyrimidin-4-amine;N-[1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-N,2,5,6-tetramethylpyrimidin-4-amine;3-cyclopropyl-5-[4-[1-(2,5,6-trimethylpyrimidin-4-yl)oxyethyl]phenyl]-1,2,4-oxadiazole;N-[1-[4-(1-methylazetidin-3-yl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine;N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 167637775) has the molecular formula C133H140FN33O8S2 and a molecular weight of 2411.94 g/mol. Its IUPAC name is 3-cyclopropyl-5-[4-[1-(5,6-dimethylpyridazin-4-yl)oxyethyl]phenyl]-1,2,4-oxadiazole;N-[1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-5,6-dimethylpyridazin-4-amine;N-[1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-6-fluoro-2-methylfuro[2,3-d]pyrimidin-4-amine;N-[1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-N,2,5,6-tetramethylpyrimidin-4-amine;3-cyclopropyl-5-[4-[1-(2,5,6-trimethylpyrimidin-4-yl)oxyethyl]phenyl]-1,2,4-oxadiazole;N-[1-[4-(1-methylazetidin-3-yl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine;N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 3-cyclopropyl-5-[4-[1-(5,6-dimethylpyridazin-4-yl)oxyethyl]phenyl]-1,2,4-oxadiazole;N-[1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-5,6-dimethylpyridazin-4-amine;N-[1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-6-fluoro-2-methylfuro[2,3-d]pyrimidin-4-amine;N-[1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-N,2,5,6-tetramethylpyrimidin-4-amine;3-cyclopropyl-5-[4-[1-(2,5,6-trimethylpyrimidin-4-yl)oxyethyl]phenyl]-1,2,4-oxadiazole;N-[1-[4-(1-methylazetidin-3-yl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine;N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
• PubChem CID: 167637775
• Molecular Formula: C133H140FN33O8S2
• Molecular Weight: 2411.94 g/mol
• Exact Mass: 2410.10
• IUPAC Name: 3-cyclopropyl-5-[4-[1-(5,6-dimethylpyridazin-4-yl)oxyethyl]phenyl]-1,2,4-oxadiazole;N-[1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-5,6-dimethylpyridazin-4-amine;N-[1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-6-fluoro-2-methylfuro[2,3-d]pyrimidin-4-amine;N-[1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-N,2,5,6-tetramethylpyrimidin-4-amine;3-cyclopropyl-5-[4-[1-(2,5,6-trimethylpyrimidin-4-yl)oxyethyl]phenyl]-1,2,4-oxadiazole;N-[1-[4-(1-methylazetidin-3-yl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine;N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
• SMILES: CC(Nc1ncnc2sccc12)c1ccc(-n2cncn2)cc1.CC(Nc1ncnc2sccc12)c1ccc(C2CN(C)C2)cc1.Cc1nc(C)c(C)c(N(C)C(C)c2ccc(-c3nc(C4CC4)no3)cc2)n1.Cc1nc(C)c(C)c(OC(C)c2ccc(-c3nc(C4CC4)no3)cc2)n1.Cc1nc(NC(C)c2ccc(-c3nc(C4CC4)no3)cc2)c2cc(F)oc2n1.Cc1nncc(NC(C)c2ccc(-c3nc(C4CC4)no3)cc2)c1C.Cc1nncc(OC(C)c2ccc(-c3nc(C4CC4)no3)cc2)c1C
• InChI: InChI=1S/C21H25N5O.C20H18FN5O2.C20H22N4O2.C19H21N5O.C19H20N4O2.C18H20N4S.C16H14N6S/c1-12-13(2)22-15(4)23-20(12)26(5)14(3)16-6-10-18(11-7-16)21-24-19(25-27-21)17-8-9-17;1-10(22-18-15-9-16(21)27-20(15)24-11(2)23-18)12-3-7-14(8-4-12)19-25-17(26-28-19)13-5-6-13;1-11-12(2)21-14(4)22-19(11)25-13(3)15-5-9-17(10-6-15)20-23-18(24-26-20)16-7-8-16;1-11-12(2)23-20-10-17(11)21-13(3)14-4-8-16(9-5-14)19-22-18(24-25-19)15-6-7-15;1-11-12(2)22-20-10-17(11)24-13(3)14-4-8-16(9-5-14)19-21-18(23-25-19)15-6-7-15;1-12(21-17-16-7-8-23-18(16)20-11-19-17)13-3-5-14(6-4-13)15-9-22(2)10-15;1-11(21-15-14-6-7-23-16(14)19-9-18-15)12-2-4-13(5-3-12)22-10-17-8-20-22/h6-7,10-11,14,17H,8-9H2,1-5H3;3-4,7-10,13H,5-6H2,1-2H3,(H,22,23,24);5-6,9-10,13,16H,7-8H2,1-4H3;4-5,8-10,13,15H,6-7H2,1-3H3,(H,21,23);4-5,8-10,13,15H,6-7H2,1-3H3;3-8,11-12,15H,9-10H2,1-2H3,(H,19,20,21);2-11H,1H3,(H,18,19,21)
• InChIKey: OSKMSQVEKFXTSQ-UHFFFAOYSA-N
• XLogP: 29.46
• TPSA: 491.97 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 43
• Rotatable Bonds: 33
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2411.94
LogP ≤ 5	29.46
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[4-[1-(5,6-dimethylpyridazin-4-yl)oxyethyl]phenyl]-1,2,4-oxadiazole;N-[1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-5,6-dimethylpyridazin-4-amine;N-[1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-6-fluoro-2-methylfuro[2,3-d]pyrimidin-4-amine;N-[1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-N,2,5,6-tetramethylpyrimidin-4-amine;3-cyclopropyl-5-[4-[1-(2,5,6-trimethylpyrimidin-4-yl)oxyethyl]phenyl]-1,2,4-oxadiazole;N-[1-[4-(1-methylazetidin-3-yl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine;N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine?

The IUPAC name of 3-cyclopropyl-5-[4-[1-(5,6-dimethylpyridazin-4-yl)oxyethyl]phenyl]-1,2,4-oxadiazole;N-[1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-5,6-dimethylpyridazin-4-amine;N-[1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-6-fluoro-2-methylfuro[2,3-d]pyrimidin-4-amine;N-[1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-N,2,5,6-tetramethylpyrimidin-4-amine;3-cyclopropyl-5-[4-[1-(2,5,6-trimethylpyrimidin-4-yl)oxyethyl]phenyl]-1,2,4-oxadiazole;N-[1-[4-(1-methylazetidin-3-yl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine;N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine (CID 167637775) is 3-cyclopropyl-5-[4-[1-(5,6-dimethylpyridazin-4-yl)oxyethyl]phenyl]-1,2,4-oxadiazole;N-[1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-5,6-dimethylpyridazin-4-amine;N-[1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-6-fluoro-2-methylfuro[2,3-d]pyrimidin-4-amine;N-[1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-N,2,5,6-tetramethylpyrimidin-4-amine;3-cyclopropyl-5-[4-[1-(2,5,6-trimethylpyrimidin-4-yl)oxyethyl]phenyl]-1,2,4-oxadiazole;N-[1-[4-(1-methylazetidin-3-yl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine;N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for 3-cyclopropyl-5-[4-[1-(5,6-dimethylpyridazin-4-yl)oxyethyl]phenyl]-1,2,4-oxadiazole;N-[1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-5,6-dimethylpyridazin-4-amine;N-[1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-6-fluoro-2-methylfuro[2,3-d]pyrimidin-4-amine;N-[1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-N,2,5,6-tetramethylpyrimidin-4-amine;3-cyclopropyl-5-[4-[1-(2,5,6-trimethylpyrimidin-4-yl)oxyethyl]phenyl]-1,2,4-oxadiazole;N-[1-[4-(1-methylazetidin-3-yl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine;N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine?

The canonical SMILES for 3-cyclopropyl-5-[4-[1-(5,6-dimethylpyridazin-4-yl)oxyethyl]phenyl]-1,2,4-oxadiazole;N-[1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-5,6-dimethylpyridazin-4-amine;N-[1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-6-fluoro-2-methylfuro[2,3-d]pyrimidin-4-amine;N-[1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-N,2,5,6-tetramethylpyrimidin-4-amine;3-cyclopropyl-5-[4-[1-(2,5,6-trimethylpyrimidin-4-yl)oxyethyl]phenyl]-1,2,4-oxadiazole;N-[1-[4-(1-methylazetidin-3-yl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine;N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine is CC(Nc1ncnc2sccc12)c1ccc(-n2cncn2)cc1.CC(Nc1ncnc2sccc12)c1ccc(C2CN(C)C2)cc1.Cc1nc(C)c(C)c(N(C)C(C)c2ccc(-c3nc(C4CC4)no3)cc2)n1.Cc1nc(C)c(C)c(OC(C)c2ccc(-c3nc(C4CC4)no3)cc2)n1.Cc1nc(NC(C)c2ccc(-c3nc(C4CC4)no3)cc2)c2cc(F)oc2n1.Cc1nncc(NC(C)c2ccc(-c3nc(C4CC4)no3)cc2)c1C.Cc1nncc(OC(C)c2ccc(-c3nc(C4CC4)no3)cc2)c1C.

What is the InChIKey of 3-cyclopropyl-5-[4-[1-(5,6-dimethylpyridazin-4-yl)oxyethyl]phenyl]-1,2,4-oxadiazole;N-[1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-5,6-dimethylpyridazin-4-amine;N-[1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-6-fluoro-2-methylfuro[2,3-d]pyrimidin-4-amine;N-[1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-N,2,5,6-tetramethylpyrimidin-4-amine;3-cyclopropyl-5-[4-[1-(2,5,6-trimethylpyrimidin-4-yl)oxyethyl]phenyl]-1,2,4-oxadiazole;N-[1-[4-(1-methylazetidin-3-yl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine;N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine?

The InChIKey is OSKMSQVEKFXTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O.C20H18FN5O2.C20H22N4O2.C19H21N5O.C19H20N4O2.C18H20N4S.C16H14N6S/c1-12-13(2)22-15(4)23-20(12)26(5)14(3)16-6-10-18(11-7-16)21-24-19(25-27-21)17-8-9-17;1-10(22-18-15-9-16(21)27-20(15)24-11(2)23-18)12-3-7-14(8-4-12)19-25-17(26-28-19)13-5-6-13;1-11-12(2)21-14(4)22-19(11)25-13(3)15-5-9-17(10-6-15)20-23-18(24-26-20)16-7-8-16;1-11-12(2)23-20-10-17(11)21-13(3)14-4-8-16(9-5-14)19-22-18(24-25-19)15-6-7-15;1-11-12(2)22-20-10-17(11)24-13(3)14-4-8-16(9-5-14)19-21-18(23-25-19)15-6-7-15;1-12(21-17-16-7-8-23-18(16)20-11-19-17)13-3-5-14(6-4-13)15-9-22(2)10-15;1-11(21-15-14-6-7-23-16(14)19-9-18-15)12-2-4-13(5-3-12)22-10-17-8-20-22/h6-7,10-11,14,17H,8-9H2,1-5H3;3-4,7-10,13H,5-6H2,1-2H3,(H,22,23,24);5-6,9-10,13,16H,7-8H2,1-4H3;4-5,8-10,13,15H,6-7H2,1-3H3,(H,21,23);4-5,8-10,13,15H,6-7H2,1-3H3;3-8,11-12,15H,9-10H2,1-2H3,(H,19,20,21);2-11H,1H3,(H,18,19,21).

What are the key properties of 3-cyclopropyl-5-[4-[1-(5,6-dimethylpyridazin-4-yl)oxyethyl]phenyl]-1,2,4-oxadiazole;N-[1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-5,6-dimethylpyridazin-4-amine;N-[1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-6-fluoro-2-methylfuro[2,3-d]pyrimidin-4-amine;N-[1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-N,2,5,6-tetramethylpyrimidin-4-amine;3-cyclopropyl-5-[4-[1-(2,5,6-trimethylpyrimidin-4-yl)oxyethyl]phenyl]-1,2,4-oxadiazole;N-[1-[4-(1-methylazetidin-3-yl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine;N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine?

3-cyclopropyl-5-[4-[1-(5,6-dimethylpyridazin-4-yl)oxyethyl]phenyl]-1,2,4-oxadiazole;N-[1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-5,6-dimethylpyridazin-4-amine;N-[1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-6-fluoro-2-methylfuro[2,3-d]pyrimidin-4-amine;N-[1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-N,2,5,6-tetramethylpyrimidin-4-amine;3-cyclopropyl-5-[4-[1-(2,5,6-trimethylpyrimidin-4-yl)oxyethyl]phenyl]-1,2,4-oxadiazole;N-[1-[4-(1-methylazetidin-3-yl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine;N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 2411.94 g/mol, XLogP of 29.46, 33 rotatable bonds, 4 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopropyl-5-[4-[1-(5,6-dimethylpyridazin-4-yl)oxyethyl]phenyl]-1,2,4-oxadiazole;N-[1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-5,6-dimethylpyridazin-4-amine;N-[1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-6-fluoro-2-methylfuro[2,3-d]pyrimidin-4-amine;N-[1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-N,2,5,6-tetramethylpyrimidin-4-amine;3-cyclopropyl-5-[4-[1-(2,5,6-trimethylpyrimidin-4-yl)oxyethyl]phenyl]-1,2,4-oxadiazole;N-[1-[4-(1-methylazetidin-3-yl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine;N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 167637775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).