1-[(2S)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone

C24H23FN4O2 — CID 124982429

About 1-[(2S)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone

1-[(2S)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone (PubChem CID 124982429) has the molecular formula C24H23FN4O2 and a molecular weight of 418.47 g/mol. Its IUPAC name is 1-[(2S)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone.

Molecular Properties

• Compound Name: 1-[(2S)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone
• PubChem CID: 124982429
• Molecular Formula: C24H23FN4O2
• Molecular Weight: 418.47 g/mol
• Exact Mass: 418.18
• IUPAC Name: 1-[(2S)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone
• SMILES: Cc1nc2ccccc2n1CC(=O)N1CCC[C@H]1c1ncc(Cc2ccccc2F)o1
• InChI: InChI=1S/C24H23FN4O2/c1-16-27-20-9-4-5-10-21(20)29(16)15-23(30)28-12-6-11-22(28)24-26-14-18(31-24)13-17-7-2-3-8-19(17)25/h2-5,7-10,14,22H,6,11-13,15H2,1H3/t22-/m0/s1
• InChIKey: MWZLMQLSFJSGDJ-QFIPXVFZSA-N
• XLogP: 4.43
• TPSA: 64.16 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.47
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone?

The IUPAC name of 1-[(2S)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone (CID 124982429) is 1-[(2S)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone.

What is the SMILES notation for 1-[(2S)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone?

The canonical SMILES for 1-[(2S)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone is Cc1nc2ccccc2n1CC(=O)N1CCC[C@H]1c1ncc(Cc2ccccc2F)o1.

What is the InChIKey of 1-[(2S)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone?

The InChIKey is MWZLMQLSFJSGDJ-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H23FN4O2/c1-16-27-20-9-4-5-10-21(20)29(16)15-23(30)28-12-6-11-22(28)24-26-14-18(31-24)13-17-7-2-3-8-19(17)25/h2-5,7-10,14,22H,6,11-13,15H2,1H3/t22-/m0/s1.

What are the key properties of 1-[(2S)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone?

1-[(2S)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone has a molecular weight of 418.47 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone is sourced from PubChem (CID 124982429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).