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

C23H21FN4O2 — CID 176626016

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

2-[5-fluoro-2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidin-4-yl]-5-methyl-1,3,4-oxadiazole (PubChem CID 176626016) has the molecular formula C23H21FN4O2 and a molecular weight of 404.45 g/mol. Its IUPAC name is 2-[5-fluoro-2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidin-4-yl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-[5-fluoro-2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidin-4-yl]-5-methyl-1,3,4-oxadiazole
• PubChem CID: 176626016
• Molecular Formula: C23H21FN4O2
• Molecular Weight: 404.45 g/mol
• Exact Mass: 404.16
• IUPAC Name: 2-[5-fluoro-2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidin-4-yl]-5-methyl-1,3,4-oxadiazole
• SMILES: Cc1ccc(C(C)(C)c2ccc(Oc3ncc(F)c(-c4nnc(C)o4)n3)cc2)cc1
• InChI: InChI=1S/C23H21FN4O2/c1-14-5-7-16(8-6-14)23(3,4)17-9-11-18(12-10-17)30-22-25-13-19(24)20(26-22)21-28-27-15(2)29-21/h5-13H,1-4H3
• InChIKey: ZJPHKAHWZNOUCB-UHFFFAOYSA-N
• XLogP: 5.40
• TPSA: 73.93 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	404.45
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[5-fluoro-2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidin-4-yl]-5-methyl-1,3,4-oxadiazole (CID 176626016) is 2-[5-fluoro-2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidin-4-yl]-5-methyl-1,3,4-oxadiazole.

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

The canonical SMILES for 2-[5-fluoro-2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidin-4-yl]-5-methyl-1,3,4-oxadiazole is Cc1ccc(C(C)(C)c2ccc(Oc3ncc(F)c(-c4nnc(C)o4)n3)cc2)cc1.

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

The InChIKey is ZJPHKAHWZNOUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2/c1-14-5-7-16(8-6-14)23(3,4)17-9-11-18(12-10-17)30-22-25-13-19(24)20(26-22)21-28-27-15(2)29-21/h5-13H,1-4H3.

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

2-[5-fluoro-2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidin-4-yl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 404.45 g/mol, XLogP of 5.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-fluoro-2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidin-4-yl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 176626016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).