1-[3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(dimethylamino)ethanone

C19H24ClN3O2 — CID 110099349

About 1-[3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(dimethylamino)ethanone

1-[3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(dimethylamino)ethanone (PubChem CID 110099349) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is 1-[3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(dimethylamino)ethanone.

Molecular Properties

• Compound Name: 1-[3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(dimethylamino)ethanone
• PubChem CID: 110099349
• Molecular Formula: C19H24ClN3O2
• Molecular Weight: 361.87 g/mol
• Exact Mass: 361.16
• IUPAC Name: 1-[3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(dimethylamino)ethanone
• SMILES: CN(C)CC(=O)N1CCCC(c2ncc(Cc3cccc(Cl)c3)o2)C1
• InChI: InChI=1S/C19H24ClN3O2/c1-22(2)13-18(24)23-8-4-6-15(12-23)19-21-11-17(25-19)10-14-5-3-7-16(20)9-14/h3,5,7,9,11,15H,4,6,8,10,12-13H2,1-2H3
• InChIKey: SXQSGPICVNVYLU-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 49.58 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.87
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(dimethylamino)ethanone?

The IUPAC name of 1-[3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(dimethylamino)ethanone (CID 110099349) is 1-[3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(dimethylamino)ethanone.

What is the SMILES notation for 1-[3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(dimethylamino)ethanone?

The canonical SMILES for 1-[3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(dimethylamino)ethanone is CN(C)CC(=O)N1CCCC(c2ncc(Cc3cccc(Cl)c3)o2)C1.

What is the InChIKey of 1-[3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(dimethylamino)ethanone?

The InChIKey is SXQSGPICVNVYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2/c1-22(2)13-18(24)23-8-4-6-15(12-23)19-21-11-17(25-19)10-14-5-3-7-16(20)9-14/h3,5,7,9,11,15H,4,6,8,10,12-13H2,1-2H3.

What are the key properties of 1-[3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(dimethylamino)ethanone?

1-[3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(dimethylamino)ethanone has a molecular weight of 361.87 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(dimethylamino)ethanone is sourced from PubChem (CID 110099349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).