2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-ethylacetamide;5-[4-[1-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(3-methylsulfonylpyrrolidin-1-yl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine

C94H91FN26O9S — CID 158253470

About 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-ethylacetamide;5-[4-[1-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(3-methylsulfonylpyrrolidin-1-yl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine

2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-ethylacetamide;5-[4-[1-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(3-methylsulfonylpyrrolidin-1-yl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine (PubChem CID 158253470) has the molecular formula C94H91FN26O9S and a molecular weight of 1780.00 g/mol. Its IUPAC name is 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-ethylacetamide;5-[4-[1-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(3-methylsulfonylpyrrolidin-1-yl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-ethylacetamide;5-[4-[1-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(3-methylsulfonylpyrrolidin-1-yl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
• PubChem CID: 158253470
• Molecular Formula: C94H91FN26O9S
• Molecular Weight: 1780.00 g/mol
• Exact Mass: 1778.72
• IUPAC Name: 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-ethylacetamide;5-[4-[1-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(3-methylsulfonylpyrrolidin-1-yl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
• SMILES: CCNC(=O)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.COc1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cc1OC.CS(=O)(=O)C1CCN(c2cnc(-c3nc(C4(c5ccc(-c6cnc(N)nc6)cc5)CCC4)no3)cn2)C1.Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(F)cc5)n4)CCC3)cc2)cn1
• InChI: InChI=1S/C25H26N8O3S.C24H23N5O3.C23H24N8O2.C22H18FN5O/c1-37(34,35)19-7-10-33(15-19)21-14-27-20(13-28-21)22-31-23(32-36-22)25(8-2-9-25)18-5-3-16(4-6-18)17-11-29-24(26)30-12-17;1-30-19-9-6-16(12-20(19)31-2)21-28-22(29-32-21)24(10-3-11-24)18-7-4-15(5-8-18)17-13-26-23(25)27-14-17;1-2-25-19(32)14-31-13-17(12-28-31)20-29-21(30-33-20)23(8-3-9-23)18-6-4-15(5-7-18)16-10-26-22(24)27-11-16;23-18-8-4-15(5-9-18)19-27-20(28-29-19)22(10-1-11-22)17-6-2-14(3-7-17)16-12-25-21(24)26-13-16/h3-6,11-14,19H,2,7-10,15H2,1H3,(H2,26,29,30);4-9,12-14H,3,10-11H2,1-2H3,(H2,25,26,27);4-7,10-13H,2-3,8-9,14H2,1H3,(H,25,32)(H2,24,26,27);2-9,12-13H,1,10-11H2,(H2,24,25,26)
• InChIKey: GGZNGYWKJMSYKK-UHFFFAOYSA-N
• XLogP: 13.89
• TPSA: 491.42 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 34
• Rotatable Bonds: 23
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1780.00
LogP ≤ 5	13.89
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-ethylacetamide;5-[4-[1-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(3-methylsulfonylpyrrolidin-1-yl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?

The IUPAC name of 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-ethylacetamide;5-[4-[1-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(3-methylsulfonylpyrrolidin-1-yl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine (CID 158253470) is 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-ethylacetamide;5-[4-[1-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(3-methylsulfonylpyrrolidin-1-yl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine.

What is the SMILES notation for 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-ethylacetamide;5-[4-[1-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(3-methylsulfonylpyrrolidin-1-yl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?

The canonical SMILES for 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-ethylacetamide;5-[4-[1-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(3-methylsulfonylpyrrolidin-1-yl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine is CCNC(=O)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.COc1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cc1OC.CS(=O)(=O)C1CCN(c2cnc(-c3nc(C4(c5ccc(-c6cnc(N)nc6)cc5)CCC4)no3)cn2)C1.Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(F)cc5)n4)CCC3)cc2)cn1.

What is the InChIKey of 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-ethylacetamide;5-[4-[1-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(3-methylsulfonylpyrrolidin-1-yl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?

The InChIKey is GGZNGYWKJMSYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N8O3S.C24H23N5O3.C23H24N8O2.C22H18FN5O/c1-37(34,35)19-7-10-33(15-19)21-14-27-20(13-28-21)22-31-23(32-36-22)25(8-2-9-25)18-5-3-16(4-6-18)17-11-29-24(26)30-12-17;1-30-19-9-6-16(12-20(19)31-2)21-28-22(29-32-21)24(10-3-11-24)18-7-4-15(5-8-18)17-13-26-23(25)27-14-17;1-2-25-19(32)14-31-13-17(12-28-31)20-29-21(30-33-20)23(8-3-9-23)18-6-4-15(5-7-18)16-10-26-22(24)27-11-16;23-18-8-4-15(5-9-18)19-27-20(28-29-19)22(10-1-11-22)17-6-2-14(3-7-17)16-12-25-21(24)26-13-16/h3-6,11-14,19H,2,7-10,15H2,1H3,(H2,26,29,30);4-9,12-14H,3,10-11H2,1-2H3,(H2,25,26,27);4-7,10-13H,2-3,8-9,14H2,1H3,(H,25,32)(H2,24,26,27);2-9,12-13H,1,10-11H2,(H2,24,25,26).

What are the key properties of 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-ethylacetamide;5-[4-[1-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(3-methylsulfonylpyrrolidin-1-yl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?

2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-ethylacetamide;5-[4-[1-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(3-methylsulfonylpyrrolidin-1-yl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine has a molecular weight of 1780.00 g/mol, XLogP of 13.89, 23 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-ethylacetamide;5-[4-[1-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(3-methylsulfonylpyrrolidin-1-yl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 158253470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).