2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-4-[5-[1-[4-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]phenoxy]propyl]-1,2,4-oxadiazol-3-yl]benzamide

C28H32FN5O5 — CID 67574764

About 2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-4-[5-[1-[4-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]phenoxy]propyl]-1,2,4-oxadiazol-3-yl]benzamide

2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-4-[5-[1-[4-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]phenoxy]propyl]-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 67574764) has the molecular formula C28H32FN5O5 and a molecular weight of 537.59 g/mol. Its IUPAC name is 2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-4-[5-[1-[4-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]phenoxy]propyl]-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

• Compound Name: 2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-4-[5-[1-[4-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]phenoxy]propyl]-1,2,4-oxadiazol-3-yl]benzamide
• PubChem CID: 67574764
• Molecular Formula: C28H32FN5O5
• Molecular Weight: 537.59 g/mol
• Exact Mass: 537.24
• IUPAC Name: 2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-4-[5-[1-[4-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]phenoxy]propyl]-1,2,4-oxadiazol-3-yl]benzamide
• SMILES: CCC(Oc1ccc(-c2noc(CC(C)C)n2)cc1)c1nc(-c2ccc(C(=O)NC(C)(C)CO)c(F)c2)no1
• InChI: InChI=1S/C28H32FN5O5/c1-6-22(37-19-10-7-17(8-11-19)24-30-23(38-33-24)13-16(2)3)27-31-25(34-39-27)18-9-12-20(21(29)14-18)26(36)32-28(4,5)15-35/h7-12,14,16,22,35H,6,13,15H2,1-5H3,(H,32,36)
• InChIKey: UWIVOIILZJEERI-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 136.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	537.59
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-4-[5-[1-[4-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]phenoxy]propyl]-1,2,4-oxadiazol-3-yl]benzamide?

The IUPAC name of 2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-4-[5-[1-[4-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]phenoxy]propyl]-1,2,4-oxadiazol-3-yl]benzamide (CID 67574764) is 2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-4-[5-[1-[4-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]phenoxy]propyl]-1,2,4-oxadiazol-3-yl]benzamide.

What is the SMILES notation for 2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-4-[5-[1-[4-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]phenoxy]propyl]-1,2,4-oxadiazol-3-yl]benzamide?

The canonical SMILES for 2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-4-[5-[1-[4-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]phenoxy]propyl]-1,2,4-oxadiazol-3-yl]benzamide is CCC(Oc1ccc(-c2noc(CC(C)C)n2)cc1)c1nc(-c2ccc(C(=O)NC(C)(C)CO)c(F)c2)no1.

What is the InChIKey of 2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-4-[5-[1-[4-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]phenoxy]propyl]-1,2,4-oxadiazol-3-yl]benzamide?

The InChIKey is UWIVOIILZJEERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN5O5/c1-6-22(37-19-10-7-17(8-11-19)24-30-23(38-33-24)13-16(2)3)27-31-25(34-39-27)18-9-12-20(21(29)14-18)26(36)32-28(4,5)15-35/h7-12,14,16,22,35H,6,13,15H2,1-5H3,(H,32,36).

What are the key properties of 2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-4-[5-[1-[4-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]phenoxy]propyl]-1,2,4-oxadiazol-3-yl]benzamide?

2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-4-[5-[1-[4-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]phenoxy]propyl]-1,2,4-oxadiazol-3-yl]benzamide has a molecular weight of 537.59 g/mol, XLogP of 5.16, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-4-[5-[1-[4-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]phenoxy]propyl]-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 67574764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).