N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide

C26H25N3O5 — CID 70804376

About N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide

N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 70804376) has the molecular formula C26H25N3O5 and a molecular weight of 459.50 g/mol. Its IUPAC name is N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide
• PubChem CID: 70804376
• Molecular Formula: C26H25N3O5
• Molecular Weight: 459.50 g/mol
• Exact Mass: 459.18
• IUPAC Name: N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide
• SMILES: COc1ccc(CCOc2cccc(-c3cccc(NC(=O)c4cc(C)no4)c3)n2)cc1OC
• InChI: InChI=1S/C26H25N3O5/c1-17-14-24(34-29-17)26(30)27-20-7-4-6-19(16-20)21-8-5-9-25(28-21)33-13-12-18-10-11-22(31-2)23(15-18)32-3/h4-11,14-16H,12-13H2,1-3H3,(H,27,30)
• InChIKey: KLLXQYPIKVVJMY-UHFFFAOYSA-N
• XLogP: 4.94
• TPSA: 95.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.50
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide?

The IUPAC name of N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide (CID 70804376) is N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide.

What is the SMILES notation for N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide?

The canonical SMILES for N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide is COc1ccc(CCOc2cccc(-c3cccc(NC(=O)c4cc(C)no4)c3)n2)cc1OC.

What is the InChIKey of N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide?

The InChIKey is KLLXQYPIKVVJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O5/c1-17-14-24(34-29-17)26(30)27-20-7-4-6-19(16-20)21-8-5-9-25(28-21)33-13-12-18-10-11-22(31-2)23(15-18)32-3/h4-11,14-16H,12-13H2,1-3H3,(H,27,30).

What are the key properties of N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide?

N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 459.50 g/mol, XLogP of 4.94, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 70804376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).