N-[(2S)-3-[2-ethyl-4-[5-(2-methoxy-6-phenyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide

C28H30N4O6 — CID 127046183

About N-[(2S)-3-[2-ethyl-4-[5-(2-methoxy-6-phenyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide

N-[(2S)-3-[2-ethyl-4-[5-(2-methoxy-6-phenyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide (PubChem CID 127046183) has the molecular formula C28H30N4O6 and a molecular weight of 518.57 g/mol. Its IUPAC name is N-[(2S)-3-[2-ethyl-4-[5-(2-methoxy-6-phenyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide.

Molecular Properties

• Compound Name: N-[(2S)-3-[2-ethyl-4-[5-(2-methoxy-6-phenyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
• PubChem CID: 127046183
• Molecular Formula: C28H30N4O6
• Molecular Weight: 518.57 g/mol
• Exact Mass: 518.22
• IUPAC Name: N-[(2S)-3-[2-ethyl-4-[5-(2-methoxy-6-phenyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
• SMILES: CCc1cc(-c2noc(-c3cc(OC)nc(-c4ccccc4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO
• InChI: InChI=1S/C28H30N4O6/c1-4-18-11-20(10-17(2)26(18)37-16-22(34)14-29-24(35)15-33)27-31-28(38-32-27)21-12-23(30-25(13-21)36-3)19-8-6-5-7-9-19/h5-13,22,33-34H,4,14-16H2,1-3H3,(H,29,35)/t22-/m0/s1
• InChIKey: PEONWNSYYVEVSO-QFIPXVFZSA-N
• XLogP: 3.19
• TPSA: 139.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.57
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-[2-ethyl-4-[5-(2-methoxy-6-phenyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide?

The IUPAC name of N-[(2S)-3-[2-ethyl-4-[5-(2-methoxy-6-phenyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide (CID 127046183) is N-[(2S)-3-[2-ethyl-4-[5-(2-methoxy-6-phenyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide.

What is the SMILES notation for N-[(2S)-3-[2-ethyl-4-[5-(2-methoxy-6-phenyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide?

The canonical SMILES for N-[(2S)-3-[2-ethyl-4-[5-(2-methoxy-6-phenyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide is CCc1cc(-c2noc(-c3cc(OC)nc(-c4ccccc4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO.

What is the InChIKey of N-[(2S)-3-[2-ethyl-4-[5-(2-methoxy-6-phenyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide?

The InChIKey is PEONWNSYYVEVSO-QFIPXVFZSA-N. The full InChI is InChI=1S/C28H30N4O6/c1-4-18-11-20(10-17(2)26(18)37-16-22(34)14-29-24(35)15-33)27-31-28(38-32-27)21-12-23(30-25(13-21)36-3)19-8-6-5-7-9-19/h5-13,22,33-34H,4,14-16H2,1-3H3,(H,29,35)/t22-/m0/s1.

What are the key properties of N-[(2S)-3-[2-ethyl-4-[5-(2-methoxy-6-phenyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide?

N-[(2S)-3-[2-ethyl-4-[5-(2-methoxy-6-phenyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide has a molecular weight of 518.57 g/mol, XLogP of 3.19, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-3-[2-ethyl-4-[5-(2-methoxy-6-phenyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide is sourced from PubChem (CID 127046183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).