N-(2-methoxyethyl)-5-(4-methoxyphenyl)-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide

C23H26N4O5 — CID 51069948

About N-(2-methoxyethyl)-5-(4-methoxyphenyl)-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide

N-(2-methoxyethyl)-5-(4-methoxyphenyl)-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide (PubChem CID 51069948) has the molecular formula C23H26N4O5 and a molecular weight of 438.48 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-(4-methoxyphenyl)-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-(2-methoxyethyl)-5-(4-methoxyphenyl)-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide
• PubChem CID: 51069948
• Molecular Formula: C23H26N4O5
• Molecular Weight: 438.48 g/mol
• Exact Mass: 438.19
• IUPAC Name: N-(2-methoxyethyl)-5-(4-methoxyphenyl)-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide
• SMILES: COCCN(CCC(=O)NCc1cccnc1)C(=O)c1cc(-c2ccc(OC)cc2)on1
• InChI: InChI=1S/C23H26N4O5/c1-30-13-12-27(11-9-22(28)25-16-17-4-3-10-24-15-17)23(29)20-14-21(32-26-20)18-5-7-19(31-2)8-6-18/h3-8,10,14-15H,9,11-13,16H2,1-2H3,(H,25,28)
• InChIKey: GPIKNZYLTJCEAV-UHFFFAOYSA-N
• XLogP: 2.54
• TPSA: 106.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.48
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-(4-methoxyphenyl)-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide?

The IUPAC name of N-(2-methoxyethyl)-5-(4-methoxyphenyl)-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide (CID 51069948) is N-(2-methoxyethyl)-5-(4-methoxyphenyl)-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for N-(2-methoxyethyl)-5-(4-methoxyphenyl)-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for N-(2-methoxyethyl)-5-(4-methoxyphenyl)-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide is COCCN(CCC(=O)NCc1cccnc1)C(=O)c1cc(-c2ccc(OC)cc2)on1.

What is the InChIKey of N-(2-methoxyethyl)-5-(4-methoxyphenyl)-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide?

The InChIKey is GPIKNZYLTJCEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5/c1-30-13-12-27(11-9-22(28)25-16-17-4-3-10-24-15-17)23(29)20-14-21(32-26-20)18-5-7-19(31-2)8-6-18/h3-8,10,14-15H,9,11-13,16H2,1-2H3,(H,25,28).

What are the key properties of N-(2-methoxyethyl)-5-(4-methoxyphenyl)-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide?

N-(2-methoxyethyl)-5-(4-methoxyphenyl)-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide has a molecular weight of 438.48 g/mol, XLogP of 2.54, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxyethyl)-5-(4-methoxyphenyl)-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 51069948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).