N-[(2S)-3-[2-ethyl-6-methyl-4-[5-(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide

C26H33N5O5 — CID 25072410

About N-[(2S)-3-[2-ethyl-6-methyl-4-[5-(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide

N-[(2S)-3-[2-ethyl-6-methyl-4-[5-(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide (PubChem CID 25072410) has the molecular formula C26H33N5O5 and a molecular weight of 495.58 g/mol. Its IUPAC name is N-[(2S)-3-[2-ethyl-6-methyl-4-[5-(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide.

Molecular Properties

• Compound Name: N-[(2S)-3-[2-ethyl-6-methyl-4-[5-(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
• PubChem CID: 25072410
• Molecular Formula: C26H33N5O5
• Molecular Weight: 495.58 g/mol
• Exact Mass: 495.25
• IUPAC Name: N-[(2S)-3-[2-ethyl-6-methyl-4-[5-(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
• SMILES: CCc1cc(-c2noc(-c3cc(C)nc(N4CCCC4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO
• InChI: InChI=1S/C26H33N5O5/c1-4-18-11-19(9-16(2)24(18)35-15-21(33)13-27-23(34)14-32)25-29-26(36-30-25)20-10-17(3)28-22(12-20)31-7-5-6-8-31/h9-12,21,32-33H,4-8,13-15H2,1-3H3,(H,27,34)/t21-/m0/s1
• InChIKey: UUUFRZZBIFPXSH-NRFANRHFSA-N
• XLogP: 2.43
• TPSA: 133.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.58
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-[(2S)-3-[2-ethyl-6-methyl-4-[5-(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide (CID 25072410) is N-[(2S)-3-[2-ethyl-6-methyl-4-[5-(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide.

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

The canonical SMILES for N-[(2S)-3-[2-ethyl-6-methyl-4-[5-(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide is CCc1cc(-c2noc(-c3cc(C)nc(N4CCCC4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO.

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

The InChIKey is UUUFRZZBIFPXSH-NRFANRHFSA-N. The full InChI is InChI=1S/C26H33N5O5/c1-4-18-11-19(9-16(2)24(18)35-15-21(33)13-27-23(34)14-32)25-29-26(36-30-25)20-10-17(3)28-22(12-20)31-7-5-6-8-31/h9-12,21,32-33H,4-8,13-15H2,1-3H3,(H,27,34)/t21-/m0/s1.

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

N-[(2S)-3-[2-ethyl-6-methyl-4-[5-(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide has a molecular weight of 495.58 g/mol, XLogP of 2.43, 10 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-6-methyl-4-[5-(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide is sourced from PubChem (CID 25072410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).