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

C24H29ClN4O6 — CID 25030965

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

N-[(2S)-3-[2-chloro-6-methoxy-4-[5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide (PubChem CID 25030965) has the molecular formula C24H29ClN4O6 and a molecular weight of 504.97 g/mol. Its IUPAC name is N-[(2S)-3-[2-chloro-6-methoxy-4-[5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide.

Molecular Properties

• Compound Name: N-[(2S)-3-[2-chloro-6-methoxy-4-[5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
• PubChem CID: 25030965
• Molecular Formula: C24H29ClN4O6
• Molecular Weight: 504.97 g/mol
• Exact Mass: 504.18
• IUPAC Name: N-[(2S)-3-[2-chloro-6-methoxy-4-[5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
• SMILES: COc1cc(-c2noc(-c3cc(C)nc(CC(C)C)c3)n2)cc(Cl)c1OC[C@@H](O)CNC(=O)CO
• InChI: InChI=1S/C24H29ClN4O6/c1-13(2)5-17-7-16(6-14(3)27-17)24-28-23(29-35-24)15-8-19(25)22(20(9-15)33-4)34-12-18(31)10-26-21(32)11-30/h6-9,13,18,30-31H,5,10-12H2,1-4H3,(H,26,32)/t18-/m0/s1
• InChIKey: LSIURHFVCYBZJA-SFHVURJKSA-N
• XLogP: 2.82
• TPSA: 139.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.97
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-[(2S)-3-[2-chloro-6-methoxy-4-[5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide (CID 25030965) is N-[(2S)-3-[2-chloro-6-methoxy-4-[5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide.

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

The canonical SMILES for N-[(2S)-3-[2-chloro-6-methoxy-4-[5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide is COc1cc(-c2noc(-c3cc(C)nc(CC(C)C)c3)n2)cc(Cl)c1OC[C@@H](O)CNC(=O)CO.

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

The InChIKey is LSIURHFVCYBZJA-SFHVURJKSA-N. The full InChI is InChI=1S/C24H29ClN4O6/c1-13(2)5-17-7-16(6-14(3)27-17)24-28-23(29-35-24)15-8-19(25)22(20(9-15)33-4)34-12-18(31)10-26-21(32)11-30/h6-9,13,18,30-31H,5,10-12H2,1-4H3,(H,26,32)/t18-/m0/s1.

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

N-[(2S)-3-[2-chloro-6-methoxy-4-[5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide has a molecular weight of 504.97 g/mol, XLogP of 2.82, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-3-[2-chloro-6-methoxy-4-[5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide is sourced from PubChem (CID 25030965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).