[(2S)-2-[[(5-ethyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone;[(2S)-2-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone;(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidin-1-yl]methanone

C122H114F3N25O8S2 — CID 167626054

About [(2S)-2-[[(5-ethyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone;[(2S)-2-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone;(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidin-1-yl]methanone

[(2S)-2-[[(5-ethyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone;[(2S)-2-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone;(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidin-1-yl]methanone (PubChem CID 167626054) has the molecular formula C122H114F3N25O8S2 and a molecular weight of 2179.55 g/mol. Its IUPAC name is [(2S)-2-[[(5-ethyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone;[(2S)-2-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone;(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: [(2S)-2-[[(5-ethyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone;[(2S)-2-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone;(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidin-1-yl]methanone
• PubChem CID: 167626054
• Molecular Formula: C122H114F3N25O8S2
• Molecular Weight: 2179.55 g/mol
• Exact Mass: 2177.87
• IUPAC Name: [(2S)-2-[[(5-ethyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone;[(2S)-2-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone;(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidin-1-yl]methanone
• SMILES: CCc1ccc(NC[C@@H]2CCCN2C(=O)c2c(-c3ccccc3)nc3occn23)nc1.Cc1ccc(NC[C@@H]2CCCN2C(=O)c2c(-c3ccccc3)nc3occn23)nc1.O=C(c1c(-c2ccccc2)nc2occn12)N1CCC[C@H]1Cn1ccc(-c2ccccc2)n1.O=C(c1c(-c2ccccc2)nc2sccn12)N1CCC[C@H]1CNc1ccc(C(F)(F)F)cn1.O=C(c1c(-c2ccccc2)nc2sccn12)N1CCC[C@H]1Cn1ccc(-c2ccccc2)n1
• InChI: InChI=1S/C26H23N5O2.C26H23N5OS.C24H25N5O2.C23H20F3N5OS.C23H23N5O2/c2*32-25(24-23(20-10-5-2-6-11-20)27-26-31(24)16-17-33-26)30-14-7-12-21(30)18-29-15-13-22(28-29)19-8-3-1-4-9-19;1-2-17-10-11-20(25-15-17)26-16-19-9-6-12-28(19)23(30)22-21(18-7-4-3-5-8-18)27-24-29(22)13-14-31-24;24-23(25,26)16-8-9-18(27-13-16)28-14-17-7-4-10-30(17)21(32)20-19(15-5-2-1-3-6-15)29-22-31(20)11-12-33-22;1-16-9-10-19(24-14-16)25-15-18-8-5-11-27(18)22(29)21-20(17-6-3-2-4-7-17)26-23-28(21)12-13-30-23/h2*1-6,8-11,13,15-17,21H,7,12,14,18H2;3-5,7-8,10-11,13-15,19H,2,6,9,12,16H2,1H3,(H,25,26);1-3,5-6,8-9,11-13,17H,4,7,10,14H2,(H,27,28);2-4,6-7,9-10,12-14,18H,5,8,11,15H2,1H3,(H,24,25)/t2*21-;19-;17-;18-/m00000/s1
• InChIKey: NCPQBMFVRBXKCX-XUXSXCJHSA-N
• XLogP: 23.47
• TPSA: 337.87 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 30
• Rotatable Bonds: 26
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2179.55
LogP ≤ 5	23.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[[(5-ethyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone;[(2S)-2-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone;(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidin-1-yl]methanone?

The IUPAC name of [(2S)-2-[[(5-ethyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone;[(2S)-2-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone;(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidin-1-yl]methanone (CID 167626054) is [(2S)-2-[[(5-ethyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone;[(2S)-2-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone;(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidin-1-yl]methanone.

What is the SMILES notation for [(2S)-2-[[(5-ethyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone;[(2S)-2-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone;(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidin-1-yl]methanone?

The canonical SMILES for [(2S)-2-[[(5-ethyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone;[(2S)-2-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone;(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidin-1-yl]methanone is CCc1ccc(NC[C@@H]2CCCN2C(=O)c2c(-c3ccccc3)nc3occn23)nc1.Cc1ccc(NC[C@@H]2CCCN2C(=O)c2c(-c3ccccc3)nc3occn23)nc1.O=C(c1c(-c2ccccc2)nc2occn12)N1CCC[C@H]1Cn1ccc(-c2ccccc2)n1.O=C(c1c(-c2ccccc2)nc2sccn12)N1CCC[C@H]1CNc1ccc(C(F)(F)F)cn1.O=C(c1c(-c2ccccc2)nc2sccn12)N1CCC[C@H]1Cn1ccc(-c2ccccc2)n1.

What is the InChIKey of [(2S)-2-[[(5-ethyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone;[(2S)-2-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone;(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidin-1-yl]methanone?

The InChIKey is NCPQBMFVRBXKCX-XUXSXCJHSA-N. The full InChI is InChI=1S/C26H23N5O2.C26H23N5OS.C24H25N5O2.C23H20F3N5OS.C23H23N5O2/c2*32-25(24-23(20-10-5-2-6-11-20)27-26-31(24)16-17-33-26)30-14-7-12-21(30)18-29-15-13-22(28-29)19-8-3-1-4-9-19;1-2-17-10-11-20(25-15-17)26-16-19-9-6-12-28(19)23(30)22-21(18-7-4-3-5-8-18)27-24-29(22)13-14-31-24;24-23(25,26)16-8-9-18(27-13-16)28-14-17-7-4-10-30(17)21(32)20-19(15-5-2-1-3-6-15)29-22-31(20)11-12-33-22;1-16-9-10-19(24-14-16)25-15-18-8-5-11-27(18)22(29)21-20(17-6-3-2-4-7-17)26-23-28(21)12-13-30-23/h2*1-6,8-11,13,15-17,21H,7,12,14,18H2;3-5,7-8,10-11,13-15,19H,2,6,9,12,16H2,1H3,(H,25,26);1-3,5-6,8-9,11-13,17H,4,7,10,14H2,(H,27,28);2-4,6-7,9-10,12-14,18H,5,8,11,15H2,1H3,(H,24,25)/t2*21-;19-;17-;18-/m00000/s1.

What are the key properties of [(2S)-2-[[(5-ethyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone;[(2S)-2-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone;(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidin-1-yl]methanone?

[(2S)-2-[[(5-ethyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone;[(2S)-2-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone;(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidin-1-yl]methanone has a molecular weight of 2179.55 g/mol, XLogP of 23.47, 26 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-2-[[(5-ethyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone;[(2S)-2-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone;(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 167626054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).