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

C98H102F3N21O7S — CID 167667579

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-ethyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone;[(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone;[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-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-ethyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone;[(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone;[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone (PubChem CID 167667579) has the molecular formula C98H102F3N21O7S and a molecular weight of 1775.09 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-ethyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone;[(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone;[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-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-ethyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone;[(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone;[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone
• PubChem CID: 167667579
• Molecular Formula: C98H102F3N21O7S
• Molecular Weight: 1775.09 g/mol
• Exact Mass: 1773.79
• 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-ethyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone;[(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone;[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone
• SMILES: CCc1ccc(NC[C@@H]2CCCN2C(=O)c2c(-c3ccccc3)nc3occn23)nc1.CCc1ccc(NC[C@@H]2CCCN2C(=O)c2c(-c3ccccc3)nc3sccn23)nc1.CCc1cnc(NC[C@@H]2[C@H](C)CCCN2C(=O)c2c(-c3ccccc3)nc3occn23)nc1.C[C@@H]1CCCN(C(=O)c2c(-c3ccccc3)nc3occn23)[C@@H]1CNc1ccc(C(F)(F)F)cn1
• InChI: InChI=1S/C25H24F3N5O2.C25H28N6O2.C24H25N5O2.C24H25N5OS/c1-16-6-5-11-32(19(16)15-30-20-10-9-18(14-29-20)25(26,27)28)23(34)22-21(17-7-3-2-4-8-17)31-24-33(22)12-13-35-24;1-3-18-14-26-24(27-15-18)28-16-20-17(2)8-7-11-30(20)23(32)22-21(19-9-5-4-6-10-19)29-25-31(22)12-13-33-25;2*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/h2-4,7-10,12-14,16,19H,5-6,11,15H2,1H3,(H,29,30);4-6,9-10,12-15,17,20H,3,7-8,11,16H2,1-2H3,(H,26,27,28);2*3-5,7-8,10-11,13-15,19H,2,6,9,12,16H2,1H3,(H,25,26)/t16-,19-;17-,20-;2*19-/m1100/s1
• InChIKey: SWCNJCOETONQQL-SSEPBCJUSA-N
• XLogP: 18.67
• TPSA: 302.43 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 23
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1775.09
LogP ≤ 5	18.67
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

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-ethyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone;[(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone;[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-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-ethyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone;[(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone;[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone (CID 167667579) 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-ethyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone;[(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone;[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-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-ethyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone;[(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone;[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-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-ethyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone;[(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone;[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone is CCc1ccc(NC[C@@H]2CCCN2C(=O)c2c(-c3ccccc3)nc3occn23)nc1.CCc1ccc(NC[C@@H]2CCCN2C(=O)c2c(-c3ccccc3)nc3sccn23)nc1.CCc1cnc(NC[C@@H]2[C@H](C)CCCN2C(=O)c2c(-c3ccccc3)nc3occn23)nc1.C[C@@H]1CCCN(C(=O)c2c(-c3ccccc3)nc3occn23)[C@@H]1CNc1ccc(C(F)(F)F)cn1.

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

The InChIKey is SWCNJCOETONQQL-SSEPBCJUSA-N. The full InChI is InChI=1S/C25H24F3N5O2.C25H28N6O2.C24H25N5O2.C24H25N5OS/c1-16-6-5-11-32(19(16)15-30-20-10-9-18(14-29-20)25(26,27)28)23(34)22-21(17-7-3-2-4-8-17)31-24-33(22)12-13-35-24;1-3-18-14-26-24(27-15-18)28-16-20-17(2)8-7-11-30(20)23(32)22-21(19-9-5-4-6-10-19)29-25-31(22)12-13-33-25;2*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/h2-4,7-10,12-14,16,19H,5-6,11,15H2,1H3,(H,29,30);4-6,9-10,12-15,17,20H,3,7-8,11,16H2,1-2H3,(H,26,27,28);2*3-5,7-8,10-11,13-15,19H,2,6,9,12,16H2,1H3,(H,25,26)/t16-,19-;17-,20-;2*19-/m1100/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-ethyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone;[(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone;[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-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-ethyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone;[(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone;[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone has a molecular weight of 1775.09 g/mol, XLogP of 18.67, 23 rotatable bonds, 4 hydrogen bond donors, and 25 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-ethyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone;[(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone;[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone is sourced from PubChem (CID 167667579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).