5-(4-methoxyphenyl)-N-(2-methylpropyl)-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]-1,2-oxazole-3-carboxamide

C26H31N3O4 — CID 93139917

About 5-(4-methoxyphenyl)-N-(2-methylpropyl)-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]-1,2-oxazole-3-carboxamide

5-(4-methoxyphenyl)-N-(2-methylpropyl)-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]-1,2-oxazole-3-carboxamide (PubChem CID 93139917) has the molecular formula C26H31N3O4 and a molecular weight of 449.55 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-(2-methylpropyl)-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(4-methoxyphenyl)-N-(2-methylpropyl)-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]-1,2-oxazole-3-carboxamide
• PubChem CID: 93139917
• Molecular Formula: C26H31N3O4
• Molecular Weight: 449.55 g/mol
• Exact Mass: 449.23
• IUPAC Name: 5-(4-methoxyphenyl)-N-(2-methylpropyl)-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]-1,2-oxazole-3-carboxamide
• SMILES: COc1ccc(-c2cc(C(=O)N(CCC(=O)N[C@H](C)c3ccccc3)CC(C)C)no2)cc1
• InChI: InChI=1S/C26H31N3O4/c1-18(2)17-29(15-14-25(30)27-19(3)20-8-6-5-7-9-20)26(31)23-16-24(33-28-23)21-10-12-22(32-4)13-11-21/h5-13,16,18-19H,14-15,17H2,1-4H3,(H,27,30)/t19-/m1/s1
• InChIKey: UYWQNUBEXVBLAO-LJQANCHMSA-N
• XLogP: 4.72
• TPSA: 84.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.55
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-(2-methylpropyl)-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-(4-methoxyphenyl)-N-(2-methylpropyl)-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]-1,2-oxazole-3-carboxamide (CID 93139917) is 5-(4-methoxyphenyl)-N-(2-methylpropyl)-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 5-(4-methoxyphenyl)-N-(2-methylpropyl)-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for 5-(4-methoxyphenyl)-N-(2-methylpropyl)-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]-1,2-oxazole-3-carboxamide is COc1ccc(-c2cc(C(=O)N(CCC(=O)N[C@H](C)c3ccccc3)CC(C)C)no2)cc1.

What is the InChIKey of 5-(4-methoxyphenyl)-N-(2-methylpropyl)-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]-1,2-oxazole-3-carboxamide?

The InChIKey is UYWQNUBEXVBLAO-LJQANCHMSA-N. The full InChI is InChI=1S/C26H31N3O4/c1-18(2)17-29(15-14-25(30)27-19(3)20-8-6-5-7-9-20)26(31)23-16-24(33-28-23)21-10-12-22(32-4)13-11-21/h5-13,16,18-19H,14-15,17H2,1-4H3,(H,27,30)/t19-/m1/s1.

What are the key properties of 5-(4-methoxyphenyl)-N-(2-methylpropyl)-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]-1,2-oxazole-3-carboxamide?

5-(4-methoxyphenyl)-N-(2-methylpropyl)-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]-1,2-oxazole-3-carboxamide has a molecular weight of 449.55 g/mol, XLogP of 4.72, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-methoxyphenyl)-N-(2-methylpropyl)-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 93139917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).