(4R)-2,4-dihydroxy-5-[2-methyl-4-[5-(2-methyl-6-pentan-3-yl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-propylphenoxy]pentanamide

C28H38N4O5 — CID 140546365

About (4R)-2,4-dihydroxy-5-[2-methyl-4-[5-(2-methyl-6-pentan-3-yl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-propylphenoxy]pentanamide

(4R)-2,4-dihydroxy-5-[2-methyl-4-[5-(2-methyl-6-pentan-3-yl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-propylphenoxy]pentanamide (PubChem CID 140546365) has the molecular formula C28H38N4O5 and a molecular weight of 510.64 g/mol. Its IUPAC name is (4R)-2,4-dihydroxy-5-[2-methyl-4-[5-(2-methyl-6-pentan-3-yl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-propylphenoxy]pentanamide.

Molecular Properties

• Compound Name: (4R)-2,4-dihydroxy-5-[2-methyl-4-[5-(2-methyl-6-pentan-3-yl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-propylphenoxy]pentanamide
• PubChem CID: 140546365
• Molecular Formula: C28H38N4O5
• Molecular Weight: 510.64 g/mol
• Exact Mass: 510.28
• IUPAC Name: (4R)-2,4-dihydroxy-5-[2-methyl-4-[5-(2-methyl-6-pentan-3-yl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-propylphenoxy]pentanamide
• SMILES: CCCc1cc(-c2noc(-c3cc(C)nc(C(CC)CC)c3)n2)cc(C)c1OC[C@H](O)CC(O)C(N)=O
• InChI: InChI=1S/C28H38N4O5/c1-6-9-19-12-20(10-16(4)25(19)36-15-22(33)14-24(34)26(29)35)27-31-28(37-32-27)21-11-17(5)30-23(13-21)18(7-2)8-3/h10-13,18,22,24,33-34H,6-9,14-15H2,1-5H3,(H2,29,35)/t22-,24?/m1/s1
• InChIKey: ZNLPDXZXSSVWIU-LETIRJCYSA-N
• XLogP: 4.25
• TPSA: 144.59 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	4.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (4R)-2,4-dihydroxy-5-[2-methyl-4-[5-(2-methyl-6-pentan-3-yl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-propylphenoxy]pentanamide?

The IUPAC name of (4R)-2,4-dihydroxy-5-[2-methyl-4-[5-(2-methyl-6-pentan-3-yl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-propylphenoxy]pentanamide (CID 140546365) is (4R)-2,4-dihydroxy-5-[2-methyl-4-[5-(2-methyl-6-pentan-3-yl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-propylphenoxy]pentanamide.

What is the SMILES notation for (4R)-2,4-dihydroxy-5-[2-methyl-4-[5-(2-methyl-6-pentan-3-yl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-propylphenoxy]pentanamide?

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

What is the InChIKey of (4R)-2,4-dihydroxy-5-[2-methyl-4-[5-(2-methyl-6-pentan-3-yl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-propylphenoxy]pentanamide?

The InChIKey is ZNLPDXZXSSVWIU-LETIRJCYSA-N. The full InChI is InChI=1S/C28H38N4O5/c1-6-9-19-12-20(10-16(4)25(19)36-15-22(33)14-24(34)26(29)35)27-31-28(37-32-27)21-11-17(5)30-23(13-21)18(7-2)8-3/h10-13,18,22,24,33-34H,6-9,14-15H2,1-5H3,(H2,29,35)/t22-,24?/m1/s1.

What are the key properties of (4R)-2,4-dihydroxy-5-[2-methyl-4-[5-(2-methyl-6-pentan-3-yl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-propylphenoxy]pentanamide?

(4R)-2,4-dihydroxy-5-[2-methyl-4-[5-(2-methyl-6-pentan-3-yl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-propylphenoxy]pentanamide has a molecular weight of 510.64 g/mol, XLogP of 4.25, 13 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-2,4-dihydroxy-5-[2-methyl-4-[5-(2-methyl-6-pentan-3-yl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-propylphenoxy]pentanamide is sourced from PubChem (CID 140546365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).