2-[8-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-a]pyrimidin-6-yl]-2-methylpropanamide;3-fluoro-8-[(2S)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-6-(2-methylsulfonylethyl)-2-(1,3-oxazol-2-yl)-[1,3]thiazolo[3,2-a]pyridin-5-one;8-[(2S)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-6-(2-methylsulfonylethyl)-2-(1,3-oxazol-2-yl)-[1,3]thiazolo[3,2-a]pyridin-5-one;2-[8-[(2S)-2-(2-methoxyphenyl)-2-pyridin-4-yloxyethyl]-3-methyl-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-2-methylpropanoic acid

C₁₁₀H₁₁₉FN₁₄O₂₅S₄ — CID 158634711

About 2-[8-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-a]pyrimidin-6-yl]-2-methylpropanamide;3-fluoro-8-[(2S)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-6-(2-methylsulfonylethyl)-2-(1,3-oxazol-2-yl)-[1,3]thiazolo[3,2-a]pyridin-5-one;8-[(2S)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-6-(2-methylsulfonylethyl)-2-(1,3-oxazol-2-yl)-[1,3]thiazolo[3,2-a]pyridin-5-one;2-[8-[(2S)-2-(2-methoxyphenyl)-2-pyridin-4-yloxyethyl]-3-methyl-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-2-methylpropanoic acid

2-[8-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-a]pyrimidin-6-yl]-2-methylpropanamide;3-fluoro-8-[(2S)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-6-(2-methylsulfonylethyl)-2-(1,3-oxazol-2-yl)-[1,3]thiazolo[3,2-a]pyridin-5-one;8-[(2S)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-6-(2-methylsulfonylethyl)-2-(1,3-oxazol-2-yl)-[1,3]thiazolo[3,2-a]pyridin-5-one;2-[8-[(2S)-2-(2-methoxyphenyl)-2-pyridin-4-yloxyethyl]-3-methyl-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-2-methylpropanoic acid (PubChem CID 158634711) has the molecular formula C₁₁₀H₁₁₉FN₁₄O₂₅S₄ and a molecular weight of 2184.50 g/mol. Its IUPAC name is 2-[8-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-a]pyrimidin-6-yl]-2-methylpropanamide;3-fluoro-8-[(2S)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-6-(2-methylsulfonylethyl)-2-(1,3-oxazol-2-yl)-[1,3]thiazolo[3,2-a]pyridin-5-one;8-[(2S)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-6-(2-methylsulfonylethyl)-2-(1,3-oxazol-2-yl)-[1,3]thiazolo[3,2-a]pyridin-5-one;2-[8-[(2S)-2-(2-methoxyphenyl)-2-pyridin-4-yloxyethyl]-3-methyl-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-2-methylpropanoic acid.

Molecular Properties

• Compound Name: 2-[8-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-a]pyrimidin-6-yl]-2-methylpropanamide;3-fluoro-8-[(2S)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-6-(2-methylsulfonylethyl)-2-(1,3-oxazol-2-yl)-[1,3]thiazolo[3,2-a]pyridin-5-one;8-[(2S)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-6-(2-methylsulfonylethyl)-2-(1,3-oxazol-2-yl)-[1,3]thiazolo[3,2-a]pyridin-5-one;2-[8-[(2S)-2-(2-methoxyphenyl)-2-pyridin-4-yloxyethyl]-3-methyl-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-2-methylpropanoic acid
• PubChem CID: 158634711
• Molecular Formula: C₁₁₀H₁₁₉FN₁₄O₂₅S₄
• Molecular Weight: 2184.50 g/mol
• Exact Mass: 2182.73
• IUPAC Name: 2-[8-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-a]pyrimidin-6-yl]-2-methylpropanamide;3-fluoro-8-[(2S)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-6-(2-methylsulfonylethyl)-2-(1,3-oxazol-2-yl)-[1,3]thiazolo[3,2-a]pyridin-5-one;8-[(2S)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-6-(2-methylsulfonylethyl)-2-(1,3-oxazol-2-yl)-[1,3]thiazolo[3,2-a]pyridin-5-one;2-[8-[(2S)-2-(2-methoxyphenyl)-2-pyridin-4-yloxyethyl]-3-methyl-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-2-methylpropanoic acid
• SMILES: COc1ccccc1[C@H](Cc1cc(CCS(C)(=O)=O)c(=O)n2c(F)c(-c3ncco3)sc12)OC1CCOCC1.COc1ccccc1[C@H](Cc1cc(CCS(C)(=O)=O)c(=O)n2cc(-c3ncco3)sc12)OC1CCOCC1.COc1ccccc1[C@H](Cc1cn(C(C)(C)C(=O)O)c(=O)n2c(C)c(-c3ncco3)nc12)Oc1ccncc1.COc1ccccc1[C@H](Cn1cc(C(C)(C)C(N)=O)c(=O)n2cc(-c3ncco3)nc12)OC1CCCCC1
• InChI: InChI=1S/C28H27N5O6.C28H33N5O5.C27H29FN2O7S2.C27H30N2O7S2/c1-17-23(25-30-13-14-38-25)31-24-18(16-32(27(36)33(17)24)28(2,3)26(34)35)15-22(39-19-9-11-29-12-10-19)20-7-5-6-8-21(20)37-4;1-28(2,26(29)35)20-15-32(27-31-21(16-33(27)25(20)34)24-30-13-14-37-24)17-23(38-18-9-5-4-6-10-18)19-11-7-8-12-22(19)36-3;1-34-21-6-4-3-5-20(21)22(37-19-7-11-35-12-8-19)16-18-15-17(9-14-39(2,32)33)26(31)30-24(28)23(38-27(18)30)25-29-10-13-36-25;1-33-22-6-4-3-5-21(22)23(36-20-7-11-34-12-8-20)16-19-15-18(9-14-38(2,31)32)26(30)29-17-24(37-27(19)29)25-28-10-13-35-25/h5-14,16,22H,15H2,1-4H3,(H,34,35);7-8,11-16,18,23H,4-6,9-10,17H2,1-3H3,(H2,29,35);3-6,10,13,15,19,22H,7-9,11-12,14,16H2,1-2H3;3-6,10,13,15,17,20,23H,7-9,11-12,14,16H2,1-2H3/t22-;23-;22-;23-/m0000/s1
• InChIKey: HZPZIPQVZVMZIN-CWZUHLMOSA-N
• XLogP: 16.38
• TPSA: 479.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 39
• Rotatable Bonds: 38
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2184.50
LogP ≤ 5	16.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 2-[8-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-a]pyrimidin-6-yl]-2-methylpropanamide;3-fluoro-8-[(2S)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-6-(2-methylsulfonylethyl)-2-(1,3-oxazol-2-yl)-[1,3]thiazolo[3,2-a]pyridin-5-one;8-[(2S)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-6-(2-methylsulfonylethyl)-2-(1,3-oxazol-2-yl)-[1,3]thiazolo[3,2-a]pyridin-5-one;2-[8-[(2S)-2-(2-methoxyphenyl)-2-pyridin-4-yloxyethyl]-3-methyl-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-2-methylpropanoic acid?

The IUPAC name of 2-[8-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-a]pyrimidin-6-yl]-2-methylpropanamide;3-fluoro-8-[(2S)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-6-(2-methylsulfonylethyl)-2-(1,3-oxazol-2-yl)-[1,3]thiazolo[3,2-a]pyridin-5-one;8-[(2S)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-6-(2-methylsulfonylethyl)-2-(1,3-oxazol-2-yl)-[1,3]thiazolo[3,2-a]pyridin-5-one;2-[8-[(2S)-2-(2-methoxyphenyl)-2-pyridin-4-yloxyethyl]-3-methyl-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-2-methylpropanoic acid (CID 158634711) is 2-[8-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-a]pyrimidin-6-yl]-2-methylpropanamide;3-fluoro-8-[(2S)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-6-(2-methylsulfonylethyl)-2-(1,3-oxazol-2-yl)-[1,3]thiazolo[3,2-a]pyridin-5-one;8-[(2S)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-6-(2-methylsulfonylethyl)-2-(1,3-oxazol-2-yl)-[1,3]thiazolo[3,2-a]pyridin-5-one;2-[8-[(2S)-2-(2-methoxyphenyl)-2-pyridin-4-yloxyethyl]-3-methyl-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-2-methylpropanoic acid.

What is the SMILES notation for 2-[8-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-a]pyrimidin-6-yl]-2-methylpropanamide;3-fluoro-8-[(2S)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-6-(2-methylsulfonylethyl)-2-(1,3-oxazol-2-yl)-[1,3]thiazolo[3,2-a]pyridin-5-one;8-[(2S)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-6-(2-methylsulfonylethyl)-2-(1,3-oxazol-2-yl)-[1,3]thiazolo[3,2-a]pyridin-5-one;2-[8-[(2S)-2-(2-methoxyphenyl)-2-pyridin-4-yloxyethyl]-3-methyl-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-2-methylpropanoic acid?

The canonical SMILES for 2-[8-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-a]pyrimidin-6-yl]-2-methylpropanamide;3-fluoro-8-[(2S)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-6-(2-methylsulfonylethyl)-2-(1,3-oxazol-2-yl)-[1,3]thiazolo[3,2-a]pyridin-5-one;8-[(2S)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-6-(2-methylsulfonylethyl)-2-(1,3-oxazol-2-yl)-[1,3]thiazolo[3,2-a]pyridin-5-one;2-[8-[(2S)-2-(2-methoxyphenyl)-2-pyridin-4-yloxyethyl]-3-methyl-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-2-methylpropanoic acid is COc1ccccc1[C@H](Cc1cc(CCS(C)(=O)=O)c(=O)n2c(F)c(-c3ncco3)sc12)OC1CCOCC1.COc1ccccc1[C@H](Cc1cc(CCS(C)(=O)=O)c(=O)n2cc(-c3ncco3)sc12)OC1CCOCC1.COc1ccccc1[C@H](Cc1cn(C(C)(C)C(=O)O)c(=O)n2c(C)c(-c3ncco3)nc12)Oc1ccncc1.COc1ccccc1[C@H](Cn1cc(C(C)(C)C(N)=O)c(=O)n2cc(-c3ncco3)nc12)OC1CCCCC1.

What is the InChIKey of 2-[8-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-a]pyrimidin-6-yl]-2-methylpropanamide;3-fluoro-8-[(2S)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-6-(2-methylsulfonylethyl)-2-(1,3-oxazol-2-yl)-[1,3]thiazolo[3,2-a]pyridin-5-one;8-[(2S)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-6-(2-methylsulfonylethyl)-2-(1,3-oxazol-2-yl)-[1,3]thiazolo[3,2-a]pyridin-5-one;2-[8-[(2S)-2-(2-methoxyphenyl)-2-pyridin-4-yloxyethyl]-3-methyl-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-2-methylpropanoic acid?

The InChIKey is HZPZIPQVZVMZIN-CWZUHLMOSA-N. The full InChI is InChI=1S/C28H27N5O6.C28H33N5O5.C27H29FN2O7S2.C27H30N2O7S2/c1-17-23(25-30-13-14-38-25)31-24-18(16-32(27(36)33(17)24)28(2,3)26(34)35)15-22(39-19-9-11-29-12-10-19)20-7-5-6-8-21(20)37-4;1-28(2,26(29)35)20-15-32(27-31-21(16-33(27)25(20)34)24-30-13-14-37-24)17-23(38-18-9-5-4-6-10-18)19-11-7-8-12-22(19)36-3;1-34-21-6-4-3-5-20(21)22(37-19-7-11-35-12-8-19)16-18-15-17(9-14-39(2,32)33)26(31)30-24(28)23(38-27(18)30)25-29-10-13-36-25;1-33-22-6-4-3-5-21(22)23(36-20-7-11-34-12-8-20)16-19-15-18(9-14-38(2,31)32)26(30)29-17-24(37-27(19)29)25-28-10-13-35-25/h5-14,16,22H,15H2,1-4H3,(H,34,35);7-8,11-16,18,23H,4-6,9-10,17H2,1-3H3,(H2,29,35);3-6,10,13,15,19,22H,7-9,11-12,14,16H2,1-2H3;3-6,10,13,15,17,20,23H,7-9,11-12,14,16H2,1-2H3/t22-;23-;22-;23-/m0000/s1.

What are the key properties of 2-[8-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-a]pyrimidin-6-yl]-2-methylpropanamide;3-fluoro-8-[(2S)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-6-(2-methylsulfonylethyl)-2-(1,3-oxazol-2-yl)-[1,3]thiazolo[3,2-a]pyridin-5-one;8-[(2S)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-6-(2-methylsulfonylethyl)-2-(1,3-oxazol-2-yl)-[1,3]thiazolo[3,2-a]pyridin-5-one;2-[8-[(2S)-2-(2-methoxyphenyl)-2-pyridin-4-yloxyethyl]-3-methyl-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-2-methylpropanoic acid?

2-[8-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-a]pyrimidin-6-yl]-2-methylpropanamide;3-fluoro-8-[(2S)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-6-(2-methylsulfonylethyl)-2-(1,3-oxazol-2-yl)-[1,3]thiazolo[3,2-a]pyridin-5-one;8-[(2S)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-6-(2-methylsulfonylethyl)-2-(1,3-oxazol-2-yl)-[1,3]thiazolo[3,2-a]pyridin-5-one;2-[8-[(2S)-2-(2-methoxyphenyl)-2-pyridin-4-yloxyethyl]-3-methyl-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-2-methylpropanoic acid has a molecular weight of 2184.50 g/mol, XLogP of 16.38, 38 rotatable bonds, 2 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[8-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-a]pyrimidin-6-yl]-2-methylpropanamide;3-fluoro-8-[(2S)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-6-(2-methylsulfonylethyl)-2-(1,3-oxazol-2-yl)-[1,3]thiazolo[3,2-a]pyridin-5-one;8-[(2S)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-6-(2-methylsulfonylethyl)-2-(1,3-oxazol-2-yl)-[1,3]thiazolo[3,2-a]pyridin-5-one;2-[8-[(2S)-2-(2-methoxyphenyl)-2-pyridin-4-yloxyethyl]-3-methyl-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-2-methylpropanoic acid is sourced from PubChem (CID 158634711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158634711 — identifiers, structure, computed properties (public domain)

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