2-[3-[(3-chlorophenoxy)methyl]-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidin-3-yl]acetamide

C21H26ClN3O4 — CID 110164885

About 2-[3-[(3-chlorophenoxy)methyl]-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidin-3-yl]acetamide

2-[3-[(3-chlorophenoxy)methyl]-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidin-3-yl]acetamide (PubChem CID 110164885) has the molecular formula C21H26ClN3O4 and a molecular weight of 419.91 g/mol. Its IUPAC name is 2-[3-[(3-chlorophenoxy)methyl]-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidin-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-[3-[(3-chlorophenoxy)methyl]-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidin-3-yl]acetamide
• PubChem CID: 110164885
• Molecular Formula: C21H26ClN3O4
• Molecular Weight: 419.91 g/mol
• Exact Mass: 419.16
• IUPAC Name: 2-[3-[(3-chlorophenoxy)methyl]-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidin-3-yl]acetamide
• SMILES: CC(C)c1cc(C(=O)N2CCCC(COc3cccc(Cl)c3)(CC(N)=O)C2)on1
• InChI: InChI=1S/C21H26ClN3O4/c1-14(2)17-10-18(29-24-17)20(27)25-8-4-7-21(12-25,11-19(23)26)13-28-16-6-3-5-15(22)9-16/h3,5-6,9-10,14H,4,7-8,11-13H2,1-2H3,(H2,23,26)
• InChIKey: WKLRWIMCZATTLA-UHFFFAOYSA-N
• XLogP: 3.63
• TPSA: 98.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.91
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-chlorophenoxy)methyl]-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidin-3-yl]acetamide?

The IUPAC name of 2-[3-[(3-chlorophenoxy)methyl]-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidin-3-yl]acetamide (CID 110164885) is 2-[3-[(3-chlorophenoxy)methyl]-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidin-3-yl]acetamide.

What is the SMILES notation for 2-[3-[(3-chlorophenoxy)methyl]-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidin-3-yl]acetamide?

The canonical SMILES for 2-[3-[(3-chlorophenoxy)methyl]-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidin-3-yl]acetamide is CC(C)c1cc(C(=O)N2CCCC(COc3cccc(Cl)c3)(CC(N)=O)C2)on1.

What is the InChIKey of 2-[3-[(3-chlorophenoxy)methyl]-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidin-3-yl]acetamide?

The InChIKey is WKLRWIMCZATTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O4/c1-14(2)17-10-18(29-24-17)20(27)25-8-4-7-21(12-25,11-19(23)26)13-28-16-6-3-5-15(22)9-16/h3,5-6,9-10,14H,4,7-8,11-13H2,1-2H3,(H2,23,26).

What are the key properties of 2-[3-[(3-chlorophenoxy)methyl]-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidin-3-yl]acetamide?

2-[3-[(3-chlorophenoxy)methyl]-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidin-3-yl]acetamide has a molecular weight of 419.91 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(3-chlorophenoxy)methyl]-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 110164885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).