N-(3-chloro-2-pyridinyl)-4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide;5,5-dimethyl-3-[4-[1-(2-methyl-N-piperidin-3-ylanilino)ethenyl]phenyl]-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(5-fluoro-3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide);5,5-dimethyl-3-[4-[1-[piperidin-3-yl(pyridin-2-yl)amino]ethenyl]phenyl]-1,2-oxazol-4-one;methane

C141H163ClFN23O16 — CID 157312922

About N-(3-chloro-2-pyridinyl)-4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide;5,5-dimethyl-3-[4-[1-(2-methyl-N-piperidin-3-ylanilino)ethenyl]phenyl]-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(5-fluoro-3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide);5,5-dimethyl-3-[4-[1-[piperidin-3-yl(pyridin-2-yl)amino]ethenyl]phenyl]-1,2-oxazol-4-one;methane

N-(3-chloro-2-pyridinyl)-4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide;5,5-dimethyl-3-[4-[1-(2-methyl-N-piperidin-3-ylanilino)ethenyl]phenyl]-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(5-fluoro-3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide);5,5-dimethyl-3-[4-[1-[piperidin-3-yl(pyridin-2-yl)amino]ethenyl]phenyl]-1,2-oxazol-4-one;methane (PubChem CID 157312922) has the molecular formula C141H163ClFN23O16 and a molecular weight of 2490.45 g/mol. Its IUPAC name is N-(3-chloro-2-pyridinyl)-4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide;5,5-dimethyl-3-[4-[1-(2-methyl-N-piperidin-3-ylanilino)ethenyl]phenyl]-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(5-fluoro-3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide);5,5-dimethyl-3-[4-[1-[piperidin-3-yl(pyridin-2-yl)amino]ethenyl]phenyl]-1,2-oxazol-4-one;methane.

Molecular Properties

• Compound Name: N-(3-chloro-2-pyridinyl)-4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide;5,5-dimethyl-3-[4-[1-(2-methyl-N-piperidin-3-ylanilino)ethenyl]phenyl]-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(5-fluoro-3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide);5,5-dimethyl-3-[4-[1-[piperidin-3-yl(pyridin-2-yl)amino]ethenyl]phenyl]-1,2-oxazol-4-one;methane
• PubChem CID: 157312922
• Molecular Formula: C141H163ClFN23O16
• Molecular Weight: 2490.45 g/mol
• Exact Mass: 2488.23
• IUPAC Name: N-(3-chloro-2-pyridinyl)-4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide;5,5-dimethyl-3-[4-[1-(2-methyl-N-piperidin-3-ylanilino)ethenyl]phenyl]-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(5-fluoro-3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide);5,5-dimethyl-3-[4-[1-[piperidin-3-yl(pyridin-2-yl)amino]ethenyl]phenyl]-1,2-oxazol-4-one;methane
• SMILES: C.C=C(c1ccc(C2=NOC(C)(C)C2=O)cc1)N(c1ccccc1C)C1CCCNC1.C=C(c1ccc(C2=NOC(C)(C)C2=O)cc1)N(c1ccccn1)C1CCCNC1.COC1C(c2ccc(C(=O)N(c3ncccc3Cl)C3CCCNC3)cc2)=NOC1(C)C.Cc1cc(F)cnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2=O)cc1)C1CCCNC1.Cc1cccnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2=O)cc1)C1CCCNC1.Cc1cccnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2=O)cc1)C1CCCNC1
• InChI: InChI=1S/C25H29N3O2.C23H27ClN4O3.C23H25FN4O3.2C23H26N4O3.C23H26N4O2.CH4/c1-17-8-5-6-10-22(17)28(21-9-7-15-26-16-21)18(2)19-11-13-20(14-12-19)23-24(29)25(3,4)30-27-23;1-23(2)20(30-3)19(27-31-23)15-8-10-16(11-9-15)22(29)28(17-6-4-12-25-14-17)21-18(24)7-5-13-26-21;1-14-11-17(24)12-26-21(14)28(18-5-4-10-25-13-18)22(30)16-8-6-15(7-9-16)19-20(29)23(2,3)31-27-19;2*1-15-6-4-13-25-21(15)27(18-7-5-12-24-14-18)22(29)17-10-8-16(9-11-17)19-20(28)23(2,3)30-26-19;1-16(27(19-7-6-13-24-15-19)20-8-4-5-14-25-20)17-9-11-18(12-10-17)21-22(28)23(2,3)29-26-21;/h5-6,8,10-14,21,26H,2,7,9,15-16H2,1,3-4H3;5,7-11,13,17,20,25H,4,6,12,14H2,1-3H3;6-9,11-12,18,25H,4-5,10,13H2,1-3H3;2*4,6,8-11,13,18,24H,5,7,12,14H2,1-3H3;4-5,8-12,14,19,24H,1,6-7,13,15H2,2-3H3;1H4
• InChIKey: BDGDFDMZQDBAHA-UHFFFAOYSA-N
• XLogP: 20.75
• TPSA: 448.47 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 35
• Rotatable Bonds: 27
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2490.45
LogP ≤ 5	20.75
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyridinyl)-4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide;5,5-dimethyl-3-[4-[1-(2-methyl-N-piperidin-3-ylanilino)ethenyl]phenyl]-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(5-fluoro-3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide);5,5-dimethyl-3-[4-[1-[piperidin-3-yl(pyridin-2-yl)amino]ethenyl]phenyl]-1,2-oxazol-4-one;methane?

The IUPAC name of N-(3-chloro-2-pyridinyl)-4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide;5,5-dimethyl-3-[4-[1-(2-methyl-N-piperidin-3-ylanilino)ethenyl]phenyl]-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(5-fluoro-3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide);5,5-dimethyl-3-[4-[1-[piperidin-3-yl(pyridin-2-yl)amino]ethenyl]phenyl]-1,2-oxazol-4-one;methane (CID 157312922) is N-(3-chloro-2-pyridinyl)-4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide;5,5-dimethyl-3-[4-[1-(2-methyl-N-piperidin-3-ylanilino)ethenyl]phenyl]-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(5-fluoro-3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide);5,5-dimethyl-3-[4-[1-[piperidin-3-yl(pyridin-2-yl)amino]ethenyl]phenyl]-1,2-oxazol-4-one;methane.

What is the SMILES notation for N-(3-chloro-2-pyridinyl)-4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide;5,5-dimethyl-3-[4-[1-(2-methyl-N-piperidin-3-ylanilino)ethenyl]phenyl]-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(5-fluoro-3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide);5,5-dimethyl-3-[4-[1-[piperidin-3-yl(pyridin-2-yl)amino]ethenyl]phenyl]-1,2-oxazol-4-one;methane?

The canonical SMILES for N-(3-chloro-2-pyridinyl)-4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide;5,5-dimethyl-3-[4-[1-(2-methyl-N-piperidin-3-ylanilino)ethenyl]phenyl]-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(5-fluoro-3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide);5,5-dimethyl-3-[4-[1-[piperidin-3-yl(pyridin-2-yl)amino]ethenyl]phenyl]-1,2-oxazol-4-one;methane is C.C=C(c1ccc(C2=NOC(C)(C)C2=O)cc1)N(c1ccccc1C)C1CCCNC1.C=C(c1ccc(C2=NOC(C)(C)C2=O)cc1)N(c1ccccn1)C1CCCNC1.COC1C(c2ccc(C(=O)N(c3ncccc3Cl)C3CCCNC3)cc2)=NOC1(C)C.Cc1cc(F)cnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2=O)cc1)C1CCCNC1.Cc1cccnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2=O)cc1)C1CCCNC1.Cc1cccnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2=O)cc1)C1CCCNC1.

What is the InChIKey of N-(3-chloro-2-pyridinyl)-4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide;5,5-dimethyl-3-[4-[1-(2-methyl-N-piperidin-3-ylanilino)ethenyl]phenyl]-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(5-fluoro-3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide);5,5-dimethyl-3-[4-[1-[piperidin-3-yl(pyridin-2-yl)amino]ethenyl]phenyl]-1,2-oxazol-4-one;methane?

The InChIKey is BDGDFDMZQDBAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2.C23H27ClN4O3.C23H25FN4O3.2C23H26N4O3.C23H26N4O2.CH4/c1-17-8-5-6-10-22(17)28(21-9-7-15-26-16-21)18(2)19-11-13-20(14-12-19)23-24(29)25(3,4)30-27-23;1-23(2)20(30-3)19(27-31-23)15-8-10-16(11-9-15)22(29)28(17-6-4-12-25-14-17)21-18(24)7-5-13-26-21;1-14-11-17(24)12-26-21(14)28(18-5-4-10-25-13-18)22(30)16-8-6-15(7-9-16)19-20(29)23(2,3)31-27-19;2*1-15-6-4-13-25-21(15)27(18-7-5-12-24-14-18)22(29)17-10-8-16(9-11-17)19-20(28)23(2,3)30-26-19;1-16(27(19-7-6-13-24-15-19)20-8-4-5-14-25-20)17-9-11-18(12-10-17)21-22(28)23(2,3)29-26-21;/h5-6,8,10-14,21,26H,2,7,9,15-16H2,1,3-4H3;5,7-11,13,17,20,25H,4,6,12,14H2,1-3H3;6-9,11-12,18,25H,4-5,10,13H2,1-3H3;2*4,6,8-11,13,18,24H,5,7,12,14H2,1-3H3;4-5,8-12,14,19,24H,1,6-7,13,15H2,2-3H3;1H4.

What are the key properties of N-(3-chloro-2-pyridinyl)-4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide;5,5-dimethyl-3-[4-[1-(2-methyl-N-piperidin-3-ylanilino)ethenyl]phenyl]-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(5-fluoro-3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide);5,5-dimethyl-3-[4-[1-[piperidin-3-yl(pyridin-2-yl)amino]ethenyl]phenyl]-1,2-oxazol-4-one;methane?

N-(3-chloro-2-pyridinyl)-4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide;5,5-dimethyl-3-[4-[1-(2-methyl-N-piperidin-3-ylanilino)ethenyl]phenyl]-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(5-fluoro-3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide);5,5-dimethyl-3-[4-[1-[piperidin-3-yl(pyridin-2-yl)amino]ethenyl]phenyl]-1,2-oxazol-4-one;methane has a molecular weight of 2490.45 g/mol, XLogP of 20.75, 27 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chloro-2-pyridinyl)-4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide;5,5-dimethyl-3-[4-[1-(2-methyl-N-piperidin-3-ylanilino)ethenyl]phenyl]-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(5-fluoro-3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide);5,5-dimethyl-3-[4-[1-[piperidin-3-yl(pyridin-2-yl)amino]ethenyl]phenyl]-1,2-oxazol-4-one;methane is sourced from PubChem (CID 157312922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).