5-methyl-3-[6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidin-4-yl]-1,2,4-oxadiazole

C23H22N4O2 — CID 176625695

About 5-methyl-3-[6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidin-4-yl]-1,2,4-oxadiazole

5-methyl-3-[6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidin-4-yl]-1,2,4-oxadiazole (PubChem CID 176625695) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 5-methyl-3-[6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidin-4-yl]-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-methyl-3-[6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidin-4-yl]-1,2,4-oxadiazole
• PubChem CID: 176625695
• Molecular Formula: C23H22N4O2
• Molecular Weight: 386.46 g/mol
• Exact Mass: 386.17
• IUPAC Name: 5-methyl-3-[6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidin-4-yl]-1,2,4-oxadiazole
• SMILES: Cc1ccc(C(C)(C)c2ccc(Oc3cc(-c4noc(C)n4)ncn3)cc2)cc1
• InChI: InChI=1S/C23H22N4O2/c1-15-5-7-17(8-6-15)23(3,4)18-9-11-19(12-10-18)28-21-13-20(24-14-25-21)22-26-16(2)29-27-22/h5-14H,1-4H3
• InChIKey: OPHMGKGLVGXTBH-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 73.93 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	386.46
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidin-4-yl]-1,2,4-oxadiazole?

The IUPAC name of 5-methyl-3-[6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidin-4-yl]-1,2,4-oxadiazole (CID 176625695) is 5-methyl-3-[6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidin-4-yl]-1,2,4-oxadiazole.

What is the SMILES notation for 5-methyl-3-[6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidin-4-yl]-1,2,4-oxadiazole?

The canonical SMILES for 5-methyl-3-[6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidin-4-yl]-1,2,4-oxadiazole is Cc1ccc(C(C)(C)c2ccc(Oc3cc(-c4noc(C)n4)ncn3)cc2)cc1.

What is the InChIKey of 5-methyl-3-[6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidin-4-yl]-1,2,4-oxadiazole?

The InChIKey is OPHMGKGLVGXTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-15-5-7-17(8-6-15)23(3,4)18-9-11-19(12-10-18)28-21-13-20(24-14-25-21)22-26-16(2)29-27-22/h5-14H,1-4H3.

What are the key properties of 5-methyl-3-[6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidin-4-yl]-1,2,4-oxadiazole?

5-methyl-3-[6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidin-4-yl]-1,2,4-oxadiazole has a molecular weight of 386.46 g/mol, XLogP of 5.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-3-[6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidin-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 176625695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).