(2S)-1-amino-3-[2-ethyl-6-methyl-4-[5-[5-methyl-6-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-ol

C24H32N4O3 — CID 68766061

About (2S)-1-amino-3-[2-ethyl-6-methyl-4-[5-[5-methyl-6-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-ol

(2S)-1-amino-3-[2-ethyl-6-methyl-4-[5-[5-methyl-6-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-ol (PubChem CID 68766061) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is (2S)-1-amino-3-[2-ethyl-6-methyl-4-[5-[5-methyl-6-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-ol.

Molecular Properties

• Compound Name: (2S)-1-amino-3-[2-ethyl-6-methyl-4-[5-[5-methyl-6-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-ol
• PubChem CID: 68766061
• Molecular Formula: C24H32N4O3
• Molecular Weight: 424.55 g/mol
• Exact Mass: 424.25
• IUPAC Name: (2S)-1-amino-3-[2-ethyl-6-methyl-4-[5-[5-methyl-6-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-ol
• SMILES: CCc1cc(-c2noc(-c3cnc(CC(C)C)c(C)c3)n2)cc(C)c1OC[C@@H](O)CN
• InChI: InChI=1S/C24H32N4O3/c1-6-17-10-18(9-16(5)22(17)30-13-20(29)11-25)23-27-24(31-28-23)19-8-15(4)21(26-12-19)7-14(2)3/h8-10,12,14,20,29H,6-7,11,13,25H2,1-5H3/t20-/m0/s1
• InChIKey: HGEZENSSMAMIDZ-FQEVSTJZSA-N
• XLogP: 3.87
• TPSA: 107.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.55
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2S)-1-amino-3-[2-ethyl-6-methyl-4-[5-[5-methyl-6-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-ol?

The IUPAC name of (2S)-1-amino-3-[2-ethyl-6-methyl-4-[5-[5-methyl-6-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-ol (CID 68766061) is (2S)-1-amino-3-[2-ethyl-6-methyl-4-[5-[5-methyl-6-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-ol.

What is the SMILES notation for (2S)-1-amino-3-[2-ethyl-6-methyl-4-[5-[5-methyl-6-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-ol?

The canonical SMILES for (2S)-1-amino-3-[2-ethyl-6-methyl-4-[5-[5-methyl-6-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-ol is CCc1cc(-c2noc(-c3cnc(CC(C)C)c(C)c3)n2)cc(C)c1OC[C@@H](O)CN.

What is the InChIKey of (2S)-1-amino-3-[2-ethyl-6-methyl-4-[5-[5-methyl-6-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-ol?

The InChIKey is HGEZENSSMAMIDZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-6-17-10-18(9-16(5)22(17)30-13-20(29)11-25)23-27-24(31-28-23)19-8-15(4)21(26-12-19)7-14(2)3/h8-10,12,14,20,29H,6-7,11,13,25H2,1-5H3/t20-/m0/s1.

What are the key properties of (2S)-1-amino-3-[2-ethyl-6-methyl-4-[5-[5-methyl-6-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-ol?

(2S)-1-amino-3-[2-ethyl-6-methyl-4-[5-[5-methyl-6-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-ol has a molecular weight of 424.55 g/mol, XLogP of 3.87, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-amino-3-[2-ethyl-6-methyl-4-[5-[5-methyl-6-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-ol is sourced from PubChem (CID 68766061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).