3-methyl-5-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyridinyl]-1,2,4-oxadiazole

C24H23N3O2 — CID 176626392

About 3-methyl-5-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyridinyl]-1,2,4-oxadiazole

3-methyl-5-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyridinyl]-1,2,4-oxadiazole (PubChem CID 176626392) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 3-methyl-5-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 3-methyl-5-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyridinyl]-1,2,4-oxadiazole
• PubChem CID: 176626392
• Molecular Formula: C24H23N3O2
• Molecular Weight: 385.47 g/mol
• Exact Mass: 385.18
• IUPAC Name: 3-methyl-5-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyridinyl]-1,2,4-oxadiazole
• SMILES: Cc1ccc(C(C)(C)c2ccc(Oc3ccnc(-c4nc(C)no4)c3)cc2)cc1
• InChI: InChI=1S/C24H23N3O2/c1-16-5-7-18(8-6-16)24(3,4)19-9-11-20(12-10-19)28-21-13-14-25-22(15-21)23-26-17(2)27-29-23/h5-15H,1-4H3
• InChIKey: CWWHQBZQIRZORZ-UHFFFAOYSA-N
• XLogP: 5.87
• TPSA: 61.04 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	385.47
LogP ≤ 5	5.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyridinyl]-1,2,4-oxadiazole?

The IUPAC name of 3-methyl-5-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyridinyl]-1,2,4-oxadiazole (CID 176626392) is 3-methyl-5-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyridinyl]-1,2,4-oxadiazole.

What is the SMILES notation for 3-methyl-5-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyridinyl]-1,2,4-oxadiazole?

The canonical SMILES for 3-methyl-5-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyridinyl]-1,2,4-oxadiazole is Cc1ccc(C(C)(C)c2ccc(Oc3ccnc(-c4nc(C)no4)c3)cc2)cc1.

What is the InChIKey of 3-methyl-5-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyridinyl]-1,2,4-oxadiazole?

The InChIKey is CWWHQBZQIRZORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-16-5-7-18(8-6-16)24(3,4)19-9-11-20(12-10-19)28-21-13-14-25-22(15-21)23-26-17(2)27-29-23/h5-15H,1-4H3.

What are the key properties of 3-methyl-5-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyridinyl]-1,2,4-oxadiazole?

3-methyl-5-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 385.47 g/mol, XLogP of 5.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-5-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 176626392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).