1-[2-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one

C25H25FN4O3 — CID 124976269

About 1-[2-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one

1-[2-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one (PubChem CID 124976269) has the molecular formula C25H25FN4O3 and a molecular weight of 448.50 g/mol. Its IUPAC name is 1-[2-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one.

Molecular Properties

• Compound Name: 1-[2-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one
• PubChem CID: 124976269
• Molecular Formula: C25H25FN4O3
• Molecular Weight: 448.50 g/mol
• Exact Mass: 448.19
• IUPAC Name: 1-[2-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one
• SMILES: Cn1c(=O)n(CC(=O)N2CCC[C@H](c3ncc(Cc4cccc(F)c4)o3)C2)c2ccccc21
• InChI: InChI=1S/C25H25FN4O3/c1-28-21-9-2-3-10-22(21)30(25(28)32)16-23(31)29-11-5-7-18(15-29)24-27-14-20(33-24)13-17-6-4-8-19(26)12-17/h2-4,6,8-10,12,14,18H,5,7,11,13,15-16H2,1H3/t18-/m0/s1
• InChIKey: LEDLDCDIOZMDNI-SFHVURJKSA-N
• XLogP: 3.46
• TPSA: 73.27 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.50
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[2-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one (CID 124976269) is 1-[2-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one.

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

The canonical SMILES for 1-[2-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one is Cn1c(=O)n(CC(=O)N2CCC[C@H](c3ncc(Cc4cccc(F)c4)o3)C2)c2ccccc21.

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

The InChIKey is LEDLDCDIOZMDNI-SFHVURJKSA-N. The full InChI is InChI=1S/C25H25FN4O3/c1-28-21-9-2-3-10-22(21)30(25(28)32)16-23(31)29-11-5-7-18(15-29)24-27-14-20(33-24)13-17-6-4-8-19(26)12-17/h2-4,6,8-10,12,14,18H,5,7,11,13,15-16H2,1H3/t18-/m0/s1.

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

1-[2-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one has a molecular weight of 448.50 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one is sourced from PubChem (CID 124976269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).