ethyl 2-[1-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidin-2-yl]acetate

C21H26N2O6 — CID 45185476

About ethyl 2-[1-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidin-2-yl]acetate

ethyl 2-[1-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidin-2-yl]acetate (PubChem CID 45185476) has the molecular formula C21H26N2O6 and a molecular weight of 402.45 g/mol. Its IUPAC name is ethyl 2-[1-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidin-2-yl]acetate.

Molecular Properties

• Compound Name: ethyl 2-[1-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidin-2-yl]acetate
• PubChem CID: 45185476
• Molecular Formula: C21H26N2O6
• Molecular Weight: 402.45 g/mol
• Exact Mass: 402.18
• IUPAC Name: ethyl 2-[1-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidin-2-yl]acetate
• SMILES: CCOC(=O)CC1CCCCN1C(=O)c1cc(COc2cccc(OC)c2)on1
• InChI: InChI=1S/C21H26N2O6/c1-3-27-20(24)11-15-7-4-5-10-23(15)21(25)19-13-18(29-22-19)14-28-17-9-6-8-16(12-17)26-2/h6,8-9,12-13,15H,3-5,7,10-11,14H2,1-2H3
• InChIKey: NQXSKGUTPFLSMV-UHFFFAOYSA-N
• XLogP: 3.21
• TPSA: 91.10 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.45
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidin-2-yl]acetate?

The IUPAC name of ethyl 2-[1-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidin-2-yl]acetate (CID 45185476) is ethyl 2-[1-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidin-2-yl]acetate.

What is the SMILES notation for ethyl 2-[1-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidin-2-yl]acetate?

The canonical SMILES for ethyl 2-[1-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidin-2-yl]acetate is CCOC(=O)CC1CCCCN1C(=O)c1cc(COc2cccc(OC)c2)on1.

What is the InChIKey of ethyl 2-[1-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidin-2-yl]acetate?

The InChIKey is NQXSKGUTPFLSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O6/c1-3-27-20(24)11-15-7-4-5-10-23(15)21(25)19-13-18(29-22-19)14-28-17-9-6-8-16(12-17)26-2/h6,8-9,12-13,15H,3-5,7,10-11,14H2,1-2H3.

What are the key properties of ethyl 2-[1-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidin-2-yl]acetate?

ethyl 2-[1-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidin-2-yl]acetate has a molecular weight of 402.45 g/mol, XLogP of 3.21, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[1-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidin-2-yl]acetate is sourced from PubChem (CID 45185476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).