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

C26H30N4O5 — CID 163816175

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

N-[(2S)-3-[4-[5-(2-cyclopentyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropylidene]-2-hydroxyacetamide (PubChem CID 163816175) has the molecular formula C26H30N4O5 and a molecular weight of 478.55 g/mol. Its IUPAC name is N-[(2S)-3-[4-[5-(2-cyclopentyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropylidene]-2-hydroxyacetamide.

Molecular Properties

• Compound Name: N-[(2S)-3-[4-[5-(2-cyclopentyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropylidene]-2-hydroxyacetamide
• PubChem CID: 163816175
• Molecular Formula: C26H30N4O5
• Molecular Weight: 478.55 g/mol
• Exact Mass: 478.22
• IUPAC Name: N-[(2S)-3-[4-[5-(2-cyclopentyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropylidene]-2-hydroxyacetamide
• SMILES: CCc1cc(-c2noc(-c3ccnc(C4CCCC4)c3)n2)cc(C)c1OC[C@@H](O)/C=N/C(=O)CO
• InChI: InChI=1S/C26H30N4O5/c1-3-17-11-20(10-16(2)24(17)34-15-21(32)13-28-23(33)14-31)25-29-26(35-30-25)19-8-9-27-22(12-19)18-6-4-5-7-18/h8-13,18,21,31-32H,3-7,14-15H2,1-2H3/b28-13+/t21-/m0/s1
• InChIKey: NRNMTXSMFOTUJB-DSLAYPBOSA-N
• XLogP: 3.66
• TPSA: 130.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.55
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-[(2S)-3-[4-[5-(2-cyclopentyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropylidene]-2-hydroxyacetamide (CID 163816175) is N-[(2S)-3-[4-[5-(2-cyclopentyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropylidene]-2-hydroxyacetamide.

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

The canonical SMILES for N-[(2S)-3-[4-[5-(2-cyclopentyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropylidene]-2-hydroxyacetamide is CCc1cc(-c2noc(-c3ccnc(C4CCCC4)c3)n2)cc(C)c1OC[C@@H](O)/C=N/C(=O)CO.

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

The InChIKey is NRNMTXSMFOTUJB-DSLAYPBOSA-N. The full InChI is InChI=1S/C26H30N4O5/c1-3-17-11-20(10-16(2)24(17)34-15-21(32)13-28-23(33)14-31)25-29-26(35-30-25)19-8-9-27-22(12-19)18-6-4-5-7-18/h8-13,18,21,31-32H,3-7,14-15H2,1-2H3/b28-13+/t21-/m0/s1.

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

N-[(2S)-3-[4-[5-(2-cyclopentyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropylidene]-2-hydroxyacetamide has a molecular weight of 478.55 g/mol, XLogP of 3.66, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-3-[4-[5-(2-cyclopentyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropylidene]-2-hydroxyacetamide is sourced from PubChem (CID 163816175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).