2-hydroxy-N-[(2S)-2-hydroxy-3-[2-methyl-4-[5-(2-methyl-6-pentan-3-yl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-propylphenoxy]propyl]acetamide

C28H38N4O5 — CID 25031142

About 2-hydroxy-N-[(2S)-2-hydroxy-3-[2-methyl-4-[5-(2-methyl-6-pentan-3-yl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-propylphenoxy]propyl]acetamide

2-hydroxy-N-[(2S)-2-hydroxy-3-[2-methyl-4-[5-(2-methyl-6-pentan-3-yl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-propylphenoxy]propyl]acetamide (PubChem CID 25031142) has the molecular formula C28H38N4O5 and a molecular weight of 510.64 g/mol. Its IUPAC name is 2-hydroxy-N-[(2S)-2-hydroxy-3-[2-methyl-4-[5-(2-methyl-6-pentan-3-yl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-propylphenoxy]propyl]acetamide.

Molecular Properties

• Compound Name: 2-hydroxy-N-[(2S)-2-hydroxy-3-[2-methyl-4-[5-(2-methyl-6-pentan-3-yl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-propylphenoxy]propyl]acetamide
• PubChem CID: 25031142
• Molecular Formula: C28H38N4O5
• Molecular Weight: 510.64 g/mol
• Exact Mass: 510.28
• IUPAC Name: 2-hydroxy-N-[(2S)-2-hydroxy-3-[2-methyl-4-[5-(2-methyl-6-pentan-3-yl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-propylphenoxy]propyl]acetamide
• SMILES: CCCc1cc(-c2noc(-c3cc(C)nc(C(CC)CC)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO
• InChI: InChI=1S/C28H38N4O5/c1-6-9-20-12-21(10-17(4)26(20)36-16-23(34)14-29-25(35)15-33)27-31-28(37-32-27)22-11-18(5)30-24(13-22)19(7-2)8-3/h10-13,19,23,33-34H,6-9,14-16H2,1-5H3,(H,29,35)/t23-/m0/s1
• InChIKey: FHPRRMMBXXUDRI-QHCPKHFHSA-N
• XLogP: 4.12
• TPSA: 130.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.64
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(2S)-2-hydroxy-3-[2-methyl-4-[5-(2-methyl-6-pentan-3-yl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-propylphenoxy]propyl]acetamide?

The IUPAC name of 2-hydroxy-N-[(2S)-2-hydroxy-3-[2-methyl-4-[5-(2-methyl-6-pentan-3-yl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-propylphenoxy]propyl]acetamide (CID 25031142) is 2-hydroxy-N-[(2S)-2-hydroxy-3-[2-methyl-4-[5-(2-methyl-6-pentan-3-yl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-propylphenoxy]propyl]acetamide.

What is the SMILES notation for 2-hydroxy-N-[(2S)-2-hydroxy-3-[2-methyl-4-[5-(2-methyl-6-pentan-3-yl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-propylphenoxy]propyl]acetamide?

The canonical SMILES for 2-hydroxy-N-[(2S)-2-hydroxy-3-[2-methyl-4-[5-(2-methyl-6-pentan-3-yl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-propylphenoxy]propyl]acetamide is CCCc1cc(-c2noc(-c3cc(C)nc(C(CC)CC)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO.

What is the InChIKey of 2-hydroxy-N-[(2S)-2-hydroxy-3-[2-methyl-4-[5-(2-methyl-6-pentan-3-yl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-propylphenoxy]propyl]acetamide?

The InChIKey is FHPRRMMBXXUDRI-QHCPKHFHSA-N. The full InChI is InChI=1S/C28H38N4O5/c1-6-9-20-12-21(10-17(4)26(20)36-16-23(34)14-29-25(35)15-33)27-31-28(37-32-27)22-11-18(5)30-24(13-22)19(7-2)8-3/h10-13,19,23,33-34H,6-9,14-16H2,1-5H3,(H,29,35)/t23-/m0/s1.

What are the key properties of 2-hydroxy-N-[(2S)-2-hydroxy-3-[2-methyl-4-[5-(2-methyl-6-pentan-3-yl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-propylphenoxy]propyl]acetamide?

2-hydroxy-N-[(2S)-2-hydroxy-3-[2-methyl-4-[5-(2-methyl-6-pentan-3-yl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-propylphenoxy]propyl]acetamide has a molecular weight of 510.64 g/mol, XLogP of 4.12, 13 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydroxy-N-[(2S)-2-hydroxy-3-[2-methyl-4-[5-(2-methyl-6-pentan-3-yl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-propylphenoxy]propyl]acetamide is sourced from PubChem (CID 25031142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).