N-[(2S)-3-[2,6-dimethyl-4-[5-[3-methyl-4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide

C26H33N3O5 — CID 24831542

About N-[(2S)-3-[2,6-dimethyl-4-[5-[3-methyl-4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide

N-[(2S)-3-[2,6-dimethyl-4-[5-[3-methyl-4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide (PubChem CID 24831542) has the molecular formula C26H33N3O5 and a molecular weight of 467.57 g/mol. Its IUPAC name is N-[(2S)-3-[2,6-dimethyl-4-[5-[3-methyl-4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide.

Molecular Properties

• Compound Name: N-[(2S)-3-[2,6-dimethyl-4-[5-[3-methyl-4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
• PubChem CID: 24831542
• Molecular Formula: C26H33N3O5
• Molecular Weight: 467.57 g/mol
• Exact Mass: 467.24
• IUPAC Name: N-[(2S)-3-[2,6-dimethyl-4-[5-[3-methyl-4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
• SMILES: Cc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(C)c3)no2)ccc1CC(C)C
• InChI: InChI=1S/C26H33N3O5/c1-15(2)8-19-6-7-20(9-16(19)3)26-28-25(29-34-26)21-10-17(4)24(18(5)11-21)33-14-22(31)12-27-23(32)13-30/h6-7,9-11,15,22,30-31H,8,12-14H2,1-5H3,(H,27,32)/t22-/m0/s1
• InChIKey: JXSOOSRPZAFXOC-QFIPXVFZSA-N
• XLogP: 3.38
• TPSA: 117.71 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.57
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-[2,6-dimethyl-4-[5-[3-methyl-4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide?

The IUPAC name of N-[(2S)-3-[2,6-dimethyl-4-[5-[3-methyl-4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide (CID 24831542) is N-[(2S)-3-[2,6-dimethyl-4-[5-[3-methyl-4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide.

What is the SMILES notation for N-[(2S)-3-[2,6-dimethyl-4-[5-[3-methyl-4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide?

The canonical SMILES for N-[(2S)-3-[2,6-dimethyl-4-[5-[3-methyl-4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide is Cc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(C)c3)no2)ccc1CC(C)C.

What is the InChIKey of N-[(2S)-3-[2,6-dimethyl-4-[5-[3-methyl-4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide?

The InChIKey is JXSOOSRPZAFXOC-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H33N3O5/c1-15(2)8-19-6-7-20(9-16(19)3)26-28-25(29-34-26)21-10-17(4)24(18(5)11-21)33-14-22(31)12-27-23(32)13-30/h6-7,9-11,15,22,30-31H,8,12-14H2,1-5H3,(H,27,32)/t22-/m0/s1.

What are the key properties of N-[(2S)-3-[2,6-dimethyl-4-[5-[3-methyl-4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide?

N-[(2S)-3-[2,6-dimethyl-4-[5-[3-methyl-4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide has a molecular weight of 467.57 g/mol, XLogP of 3.38, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-3-[2,6-dimethyl-4-[5-[3-methyl-4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide is sourced from PubChem (CID 24831542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).