[(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

C25H24F3N5O2 — CID 155378319

About [(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,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 155378319) has the molecular formula C25H24F3N5O2 and a molecular weight of 483.49 g/mol. Its IUPAC name is [(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,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: 155378319
• Molecular Formula: C25H24F3N5O2
• Molecular Weight: 483.49 g/mol
• Exact Mass: 483.19
• IUPAC Name: [(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: C[C@@H]1CCCN(C(=O)c2c(-c3ccccc3)nc3occn23)[C@@H]1CNc1ccc(C(F)(F)F)cn1
• InChI: InChI=1S/C25H24F3N5O2/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/h2-4,7-10,12-14,16,19H,5-6,11,15H2,1H3,(H,29,30)/t16-,19-/m1/s1
• InChIKey: SDUGFIZLNARKOK-VQIMIIECSA-N
• XLogP: 5.36
• TPSA: 75.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.49
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(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,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 155378319) is [(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,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,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 C[C@@H]1CCCN(C(=O)c2c(-c3ccccc3)nc3occn23)[C@@H]1CNc1ccc(C(F)(F)F)cn1.

What is the InChIKey of [(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 SDUGFIZLNARKOK-VQIMIIECSA-N. The full InChI is InChI=1S/C25H24F3N5O2/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/h2-4,7-10,12-14,16,19H,5-6,11,15H2,1H3,(H,29,30)/t16-,19-/m1/s1.

What are the key properties of [(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,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 483.49 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(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 155378319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).