N-[2-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide

C20H25N3O4 — CID 110120562

About N-[2-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide

N-[2-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide (PubChem CID 110120562) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[2-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

• Compound Name: N-[2-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide
• PubChem CID: 110120562
• Molecular Formula: C20H25N3O4
• Molecular Weight: 371.44 g/mol
• Exact Mass: 371.18
• IUPAC Name: N-[2-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide
• SMILES: COc1cccc(Cc2cnc(C3CCCCN3C(=O)CNC(C)=O)o2)c1
• InChI: InChI=1S/C20H25N3O4/c1-14(24)21-13-19(25)23-9-4-3-8-18(23)20-22-12-17(27-20)11-15-6-5-7-16(10-15)26-2/h5-7,10,12,18H,3-4,8-9,11,13H2,1-2H3,(H,21,24)
• InChIKey: HHEKZQNJHMHYDI-UHFFFAOYSA-N
• XLogP: 2.46
• TPSA: 84.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.44
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide?

The IUPAC name of N-[2-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide (CID 110120562) is N-[2-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide.

What is the SMILES notation for N-[2-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide?

The canonical SMILES for N-[2-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide is COc1cccc(Cc2cnc(C3CCCCN3C(=O)CNC(C)=O)o2)c1.

What is the InChIKey of N-[2-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide?

The InChIKey is HHEKZQNJHMHYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-14(24)21-13-19(25)23-9-4-3-8-18(23)20-22-12-17(27-20)11-15-6-5-7-16(10-15)26-2/h5-7,10,12,18H,3-4,8-9,11,13H2,1-2H3,(H,21,24).

What are the key properties of N-[2-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide?

N-[2-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 371.44 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 110120562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).