(3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid

C34H34FN3O5 — CID 67095791

About (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid

(3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid (PubChem CID 67095791) has the molecular formula C34H34FN3O5 and a molecular weight of 583.66 g/mol. Its IUPAC name is (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid.

Molecular Properties

• Compound Name: (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid
• PubChem CID: 67095791
• Molecular Formula: C34H34FN3O5
• Molecular Weight: 583.66 g/mol
• Exact Mass: 583.25
• IUPAC Name: (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid
• SMILES: CC(C)c1c(-c2nc(-c3ccccc3)no2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O
• InChI: InChI=1S/C34H34FN3O5/c1-21(2)31-30(34-36-33(37-43-34)24-11-7-4-8-12-24)29(22-9-5-3-6-10-22)32(23-13-15-25(35)16-14-23)38(31)18-17-26(39)19-27(40)20-28(41)42/h3-16,21,26-27,39-40H,17-20H2,1-2H3,(H,41,42)/t26-,27-/m1/s1
• InChIKey: SZACSHHLADTBSY-KAYWLYCHSA-N
• XLogP: 6.78
• TPSA: 121.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	583.66
LogP ≤ 5	6.78
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid?

The IUPAC name of (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid (CID 67095791) is (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid.

What is the SMILES notation for (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid?

The canonical SMILES for (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid is CC(C)c1c(-c2nc(-c3ccccc3)no2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O.

What is the InChIKey of (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid?

The InChIKey is SZACSHHLADTBSY-KAYWLYCHSA-N. The full InChI is InChI=1S/C34H34FN3O5/c1-21(2)31-30(34-36-33(37-43-34)24-11-7-4-8-12-24)29(22-9-5-3-6-10-22)32(23-13-15-25(35)16-14-23)38(31)18-17-26(39)19-27(40)20-28(41)42/h3-16,21,26-27,39-40H,17-20H2,1-2H3,(H,41,42)/t26-,27-/m1/s1.

What are the key properties of (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid?

(3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid has a molecular weight of 583.66 g/mol, XLogP of 6.78, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid is sourced from PubChem (CID 67095791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).