(5S)-5-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-5-[6-(1,2-oxazol-3-yl)-6-oxohexyl]pyrrolidin-2-one

C22H23FN4O3 — CID 146317092

About (5S)-5-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-5-[6-(1,2-oxazol-3-yl)-6-oxohexyl]pyrrolidin-2-one

(5S)-5-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-5-[6-(1,2-oxazol-3-yl)-6-oxohexyl]pyrrolidin-2-one (PubChem CID 146317092) has the molecular formula C22H23FN4O3 and a molecular weight of 410.45 g/mol. Its IUPAC name is (5S)-5-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-5-[6-(1,2-oxazol-3-yl)-6-oxohexyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: (5S)-5-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-5-[6-(1,2-oxazol-3-yl)-6-oxohexyl]pyrrolidin-2-one
• PubChem CID: 146317092
• Molecular Formula: C22H23FN4O3
• Molecular Weight: 410.45 g/mol
• Exact Mass: 410.18
• IUPAC Name: (5S)-5-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-5-[6-(1,2-oxazol-3-yl)-6-oxohexyl]pyrrolidin-2-one
• SMILES: O=C1CC[C@@](CCCCCC(=O)c2ccon2)(c2ncc(-c3ccccc3F)[nH]2)N1
• InChI: InChI=1S/C22H23FN4O3/c23-16-7-4-3-6-15(16)18-14-24-21(25-18)22(12-9-20(29)26-22)11-5-1-2-8-19(28)17-10-13-30-27-17/h3-4,6-7,10,13-14H,1-2,5,8-9,11-12H2,(H,24,25)(H,26,29)/t22-/m0/s1
• InChIKey: VIZXPEJGBCBWBB-QFIPXVFZSA-N
• XLogP: 4.14
• TPSA: 100.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.45
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-5-[6-(1,2-oxazol-3-yl)-6-oxohexyl]pyrrolidin-2-one?

The IUPAC name of (5S)-5-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-5-[6-(1,2-oxazol-3-yl)-6-oxohexyl]pyrrolidin-2-one (CID 146317092) is (5S)-5-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-5-[6-(1,2-oxazol-3-yl)-6-oxohexyl]pyrrolidin-2-one.

What is the SMILES notation for (5S)-5-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-5-[6-(1,2-oxazol-3-yl)-6-oxohexyl]pyrrolidin-2-one?

The canonical SMILES for (5S)-5-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-5-[6-(1,2-oxazol-3-yl)-6-oxohexyl]pyrrolidin-2-one is O=C1CC[C@@](CCCCCC(=O)c2ccon2)(c2ncc(-c3ccccc3F)[nH]2)N1.

What is the InChIKey of (5S)-5-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-5-[6-(1,2-oxazol-3-yl)-6-oxohexyl]pyrrolidin-2-one?

The InChIKey is VIZXPEJGBCBWBB-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H23FN4O3/c23-16-7-4-3-6-15(16)18-14-24-21(25-18)22(12-9-20(29)26-22)11-5-1-2-8-19(28)17-10-13-30-27-17/h3-4,6-7,10,13-14H,1-2,5,8-9,11-12H2,(H,24,25)(H,26,29)/t22-/m0/s1.

What are the key properties of (5S)-5-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-5-[6-(1,2-oxazol-3-yl)-6-oxohexyl]pyrrolidin-2-one?

(5S)-5-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-5-[6-(1,2-oxazol-3-yl)-6-oxohexyl]pyrrolidin-2-one has a molecular weight of 410.45 g/mol, XLogP of 4.14, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-5-[6-(1,2-oxazol-3-yl)-6-oxohexyl]pyrrolidin-2-one is sourced from PubChem (CID 146317092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).