5-(4-methoxyphenyl)-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide

C24H29N3O4 — CID 45155419

About 5-(4-methoxyphenyl)-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide

5-(4-methoxyphenyl)-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 45155419) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(4-methoxyphenyl)-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide
• PubChem CID: 45155419
• Molecular Formula: C24H29N3O4
• Molecular Weight: 423.51 g/mol
• Exact Mass: 423.22
• IUPAC Name: 5-(4-methoxyphenyl)-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide
• SMILES: COc1ccc(-c2cc(C(=O)NCC(c3ccc(C)o3)N3CCC(C)CC3)no2)cc1
• InChI: InChI=1S/C24H29N3O4/c1-16-10-12-27(13-11-16)21(22-9-4-17(2)30-22)15-25-24(28)20-14-23(31-26-20)18-5-7-19(29-3)8-6-18/h4-9,14,16,21H,10-13,15H2,1-3H3,(H,25,28)
• InChIKey: LWUUKLTUFSUKTI-UHFFFAOYSA-N
• XLogP: 4.45
• TPSA: 80.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.51
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-(4-methoxyphenyl)-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide (CID 45155419) is 5-(4-methoxyphenyl)-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 5-(4-methoxyphenyl)-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for 5-(4-methoxyphenyl)-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide is COc1ccc(-c2cc(C(=O)NCC(c3ccc(C)o3)N3CCC(C)CC3)no2)cc1.

What is the InChIKey of 5-(4-methoxyphenyl)-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide?

The InChIKey is LWUUKLTUFSUKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-16-10-12-27(13-11-16)21(22-9-4-17(2)30-22)15-25-24(28)20-14-23(31-26-20)18-5-7-19(29-3)8-6-18/h4-9,14,16,21H,10-13,15H2,1-3H3,(H,25,28).

What are the key properties of 5-(4-methoxyphenyl)-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide?

5-(4-methoxyphenyl)-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 423.51 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-methoxyphenyl)-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 45155419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).