2-[3-[(4-chloro-3-methylphenoxy)methyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]acetamide

C20H24ClN3O4 — CID 110080193

About 2-[3-[(4-chloro-3-methylphenoxy)methyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]acetamide

2-[3-[(4-chloro-3-methylphenoxy)methyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]acetamide (PubChem CID 110080193) has the molecular formula C20H24ClN3O4 and a molecular weight of 405.88 g/mol. Its IUPAC name is 2-[3-[(4-chloro-3-methylphenoxy)methyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-[3-[(4-chloro-3-methylphenoxy)methyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]acetamide
• PubChem CID: 110080193
• Molecular Formula: C20H24ClN3O4
• Molecular Weight: 405.88 g/mol
• Exact Mass: 405.15
• IUPAC Name: 2-[3-[(4-chloro-3-methylphenoxy)methyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]acetamide
• SMILES: Cc1cc(C(=O)N2CCCC(COc3ccc(Cl)c(C)c3)(CC(N)=O)C2)no1
• InChI: InChI=1S/C20H24ClN3O4/c1-13-8-15(4-5-16(13)21)27-12-20(10-18(22)25)6-3-7-24(11-20)19(26)17-9-14(2)28-23-17/h4-5,8-9H,3,6-7,10-12H2,1-2H3,(H2,22,25)
• InChIKey: XUSPVCKRCCJMAB-UHFFFAOYSA-N
• XLogP: 3.12
• TPSA: 98.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.88
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-chloro-3-methylphenoxy)methyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]acetamide?

The IUPAC name of 2-[3-[(4-chloro-3-methylphenoxy)methyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]acetamide (CID 110080193) is 2-[3-[(4-chloro-3-methylphenoxy)methyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]acetamide.

What is the SMILES notation for 2-[3-[(4-chloro-3-methylphenoxy)methyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]acetamide?

The canonical SMILES for 2-[3-[(4-chloro-3-methylphenoxy)methyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]acetamide is Cc1cc(C(=O)N2CCCC(COc3ccc(Cl)c(C)c3)(CC(N)=O)C2)no1.

What is the InChIKey of 2-[3-[(4-chloro-3-methylphenoxy)methyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]acetamide?

The InChIKey is XUSPVCKRCCJMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O4/c1-13-8-15(4-5-16(13)21)27-12-20(10-18(22)25)6-3-7-24(11-20)19(26)17-9-14(2)28-23-17/h4-5,8-9H,3,6-7,10-12H2,1-2H3,(H2,22,25).

What are the key properties of 2-[3-[(4-chloro-3-methylphenoxy)methyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]acetamide?

2-[3-[(4-chloro-3-methylphenoxy)methyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]acetamide has a molecular weight of 405.88 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(4-chloro-3-methylphenoxy)methyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 110080193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).