[3-[(2R)-1-(methylamino)propan-2-yl]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone

C19H24F3N3O2S — CID 134173634

About [3-[(2R)-1-(methylamino)propan-2-yl]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone

[3-[(2R)-1-(methylamino)propan-2-yl]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone (PubChem CID 134173634) has the molecular formula C19H24F3N3O2S and a molecular weight of 415.48 g/mol. Its IUPAC name is [3-[(2R)-1-(methylamino)propan-2-yl]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone.

Molecular Properties

• Compound Name: [3-[(2R)-1-(methylamino)propan-2-yl]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone
• PubChem CID: 134173634
• Molecular Formula: C19H24F3N3O2S
• Molecular Weight: 415.48 g/mol
• Exact Mass: 415.15
• IUPAC Name: [3-[(2R)-1-(methylamino)propan-2-yl]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone
• SMILES: CNC[C@H](C)C1CCCN(C(=O)c2ccc(-c3noc(C(F)(F)F)c3C)s2)C1
• InChI: InChI=1S/C19H24F3N3O2S/c1-11(9-23-3)13-5-4-8-25(10-13)18(26)15-7-6-14(28-15)16-12(2)17(27-24-16)19(20,21)22/h6-7,11,13,23H,4-5,8-10H2,1-3H3/t11-,13?/m0/s1
• InChIKey: ILFAGGONGNYIFM-AMGKYWFPSA-N
• XLogP: 4.44
• TPSA: 58.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.48
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [3-[(2R)-1-(methylamino)propan-2-yl]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone?

The IUPAC name of [3-[(2R)-1-(methylamino)propan-2-yl]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone (CID 134173634) is [3-[(2R)-1-(methylamino)propan-2-yl]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone.

What is the SMILES notation for [3-[(2R)-1-(methylamino)propan-2-yl]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone?

The canonical SMILES for [3-[(2R)-1-(methylamino)propan-2-yl]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone is CNC[C@H](C)C1CCCN(C(=O)c2ccc(-c3noc(C(F)(F)F)c3C)s2)C1.

What is the InChIKey of [3-[(2R)-1-(methylamino)propan-2-yl]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone?

The InChIKey is ILFAGGONGNYIFM-AMGKYWFPSA-N. The full InChI is InChI=1S/C19H24F3N3O2S/c1-11(9-23-3)13-5-4-8-25(10-13)18(26)15-7-6-14(28-15)16-12(2)17(27-24-16)19(20,21)22/h6-7,11,13,23H,4-5,8-10H2,1-3H3/t11-,13?/m0/s1.

What are the key properties of [3-[(2R)-1-(methylamino)propan-2-yl]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone?

[3-[(2R)-1-(methylamino)propan-2-yl]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone has a molecular weight of 415.48 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[(2R)-1-(methylamino)propan-2-yl]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone is sourced from PubChem (CID 134173634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).