1-[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone

C25H25FN4O2 — CID 124956706

About 1-[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone

1-[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone (PubChem CID 124956706) has the molecular formula C25H25FN4O2 and a molecular weight of 432.50 g/mol. Its IUPAC name is 1-[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone.

Molecular Properties

• Compound Name: 1-[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone
• PubChem CID: 124956706
• Molecular Formula: C25H25FN4O2
• Molecular Weight: 432.50 g/mol
• Exact Mass: 432.20
• IUPAC Name: 1-[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone
• SMILES: Cc1nc2ccccc2n1CC(=O)N1CCCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1
• InChI: InChI=1S/C25H25FN4O2/c1-17-28-21-6-2-3-7-22(21)30(17)16-24(31)29-13-5-4-8-23(29)25-27-15-20(32-25)14-18-9-11-19(26)12-10-18/h2-3,6-7,9-12,15,23H,4-5,8,13-14,16H2,1H3/t23-/m1/s1
• InChIKey: FTOANZWPQOZEHL-HSZRJFAPSA-N
• XLogP: 4.82
• TPSA: 64.16 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.50
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone?

The IUPAC name of 1-[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone (CID 124956706) is 1-[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone.

What is the SMILES notation for 1-[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone?

The canonical SMILES for 1-[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone is Cc1nc2ccccc2n1CC(=O)N1CCCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1.

What is the InChIKey of 1-[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone?

The InChIKey is FTOANZWPQOZEHL-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H25FN4O2/c1-17-28-21-6-2-3-7-22(21)30(17)16-24(31)29-13-5-4-8-23(29)25-27-15-20(32-25)14-18-9-11-19(26)12-10-18/h2-3,6-7,9-12,15,23H,4-5,8,13-14,16H2,1H3/t23-/m1/s1.

What are the key properties of 1-[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone?

1-[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone has a molecular weight of 432.50 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone is sourced from PubChem (CID 124956706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).