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

C24H29ClN4O5 — CID 68763012

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

N-[(2R)-3-[2-chloro-6-methyl-4-[5-[5-methyl-6-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide (PubChem CID 68763012) has the molecular formula C24H29ClN4O5 and a molecular weight of 488.97 g/mol. Its IUPAC name is N-[(2R)-3-[2-chloro-6-methyl-4-[5-[5-methyl-6-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide.

Molecular Properties

• Compound Name: N-[(2R)-3-[2-chloro-6-methyl-4-[5-[5-methyl-6-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
• PubChem CID: 68763012
• Molecular Formula: C24H29ClN4O5
• Molecular Weight: 488.97 g/mol
• Exact Mass: 488.18
• IUPAC Name: N-[(2R)-3-[2-chloro-6-methyl-4-[5-[5-methyl-6-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
• SMILES: Cc1cc(-c2nc(-c3cc(C)c(OC[C@H](O)CNC(=O)CO)c(Cl)c3)no2)cnc1CC(C)C
• InChI: InChI=1S/C24H29ClN4O5/c1-13(2)5-20-14(3)6-17(9-26-20)24-28-23(29-34-24)16-7-15(4)22(19(25)8-16)33-12-18(31)10-27-21(32)11-30/h6-9,13,18,30-31H,5,10-12H2,1-4H3,(H,27,32)/t18-/m1/s1
• InChIKey: SMTKJQYJVSJHCU-GOSISDBHSA-N
• XLogP: 3.12
• TPSA: 130.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.97
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[(2R)-3-[2-chloro-6-methyl-4-[5-[5-methyl-6-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide (CID 68763012) is N-[(2R)-3-[2-chloro-6-methyl-4-[5-[5-methyl-6-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide.

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

The canonical SMILES for N-[(2R)-3-[2-chloro-6-methyl-4-[5-[5-methyl-6-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide is Cc1cc(-c2nc(-c3cc(C)c(OC[C@H](O)CNC(=O)CO)c(Cl)c3)no2)cnc1CC(C)C.

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

The InChIKey is SMTKJQYJVSJHCU-GOSISDBHSA-N. The full InChI is InChI=1S/C24H29ClN4O5/c1-13(2)5-20-14(3)6-17(9-26-20)24-28-23(29-34-24)16-7-15(4)22(19(25)8-16)33-12-18(31)10-27-21(32)11-30/h6-9,13,18,30-31H,5,10-12H2,1-4H3,(H,27,32)/t18-/m1/s1.

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

N-[(2R)-3-[2-chloro-6-methyl-4-[5-[5-methyl-6-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide has a molecular weight of 488.97 g/mol, XLogP of 3.12, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-3-[2-chloro-6-methyl-4-[5-[5-methyl-6-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide is sourced from PubChem (CID 68763012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).