5-(4-ethoxy-3-methylphenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide

C26H31N3O4 — CID 42271295

About 5-(4-ethoxy-3-methylphenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide

5-(4-ethoxy-3-methylphenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide (PubChem CID 42271295) has the molecular formula C26H31N3O4 and a molecular weight of 449.55 g/mol. Its IUPAC name is 5-(4-ethoxy-3-methylphenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(4-ethoxy-3-methylphenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide
• PubChem CID: 42271295
• Molecular Formula: C26H31N3O4
• Molecular Weight: 449.55 g/mol
• Exact Mass: 449.23
• IUPAC Name: 5-(4-ethoxy-3-methylphenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide
• SMILES: CCOc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(OC)cc3)N3CCCC3)no2)cc1C
• InChI: InChI=1S/C26H31N3O4/c1-4-32-24-12-9-20(15-18(24)2)25-16-22(28-33-25)26(30)27-17-23(29-13-5-6-14-29)19-7-10-21(31-3)11-8-19/h7-12,15-16,23H,4-6,13-14,17H2,1-3H3,(H,27,30)/t23-/m0/s1
• InChIKey: MMZSXSGTYAZCAA-QHCPKHFHSA-N
• XLogP: 4.62
• TPSA: 76.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.55
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxy-3-methylphenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-(4-ethoxy-3-methylphenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide (CID 42271295) is 5-(4-ethoxy-3-methylphenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 5-(4-ethoxy-3-methylphenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for 5-(4-ethoxy-3-methylphenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide is CCOc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(OC)cc3)N3CCCC3)no2)cc1C.

What is the InChIKey of 5-(4-ethoxy-3-methylphenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide?

The InChIKey is MMZSXSGTYAZCAA-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H31N3O4/c1-4-32-24-12-9-20(15-18(24)2)25-16-22(28-33-25)26(30)27-17-23(29-13-5-6-14-29)19-7-10-21(31-3)11-8-19/h7-12,15-16,23H,4-6,13-14,17H2,1-3H3,(H,27,30)/t23-/m0/s1.

What are the key properties of 5-(4-ethoxy-3-methylphenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide?

5-(4-ethoxy-3-methylphenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 449.55 g/mol, XLogP of 4.62, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-ethoxy-3-methylphenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 42271295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).