[(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(4-methyl-1H-indol-2-yl)methanone

C25H24FN3O2 — CID 124963206

About [(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(4-methyl-1H-indol-2-yl)methanone

[(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(4-methyl-1H-indol-2-yl)methanone (PubChem CID 124963206) has the molecular formula C25H24FN3O2 and a molecular weight of 417.48 g/mol. Its IUPAC name is [(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(4-methyl-1H-indol-2-yl)methanone.

Molecular Properties

• Compound Name: [(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(4-methyl-1H-indol-2-yl)methanone
• PubChem CID: 124963206
• Molecular Formula: C25H24FN3O2
• Molecular Weight: 417.48 g/mol
• Exact Mass: 417.19
• IUPAC Name: [(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(4-methyl-1H-indol-2-yl)methanone
• SMILES: Cc1cccc2[nH]c(C(=O)N3CCCC[C@H]3c3ncc(Cc4cccc(F)c4)o3)cc12
• InChI: InChI=1S/C25H24FN3O2/c1-16-6-4-9-21-20(16)14-22(28-21)25(30)29-11-3-2-10-23(29)24-27-15-19(31-24)13-17-7-5-8-18(26)12-17/h4-9,12,14-15,23,28H,2-3,10-11,13H2,1H3/t23-/m0/s1
• InChIKey: HONMTGHCUJCJJB-QHCPKHFHSA-N
• XLogP: 5.56
• TPSA: 62.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	417.48
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(4-methyl-1H-indol-2-yl)methanone?

The IUPAC name of [(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(4-methyl-1H-indol-2-yl)methanone (CID 124963206) is [(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(4-methyl-1H-indol-2-yl)methanone.

What is the SMILES notation for [(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(4-methyl-1H-indol-2-yl)methanone?

The canonical SMILES for [(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(4-methyl-1H-indol-2-yl)methanone is Cc1cccc2[nH]c(C(=O)N3CCCC[C@H]3c3ncc(Cc4cccc(F)c4)o3)cc12.

What is the InChIKey of [(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(4-methyl-1H-indol-2-yl)methanone?

The InChIKey is HONMTGHCUJCJJB-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H24FN3O2/c1-16-6-4-9-21-20(16)14-22(28-21)25(30)29-11-3-2-10-23(29)24-27-15-19(31-24)13-17-7-5-8-18(26)12-17/h4-9,12,14-15,23,28H,2-3,10-11,13H2,1H3/t23-/m0/s1.

What are the key properties of [(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(4-methyl-1H-indol-2-yl)methanone?

[(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(4-methyl-1H-indol-2-yl)methanone has a molecular weight of 417.48 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(4-methyl-1H-indol-2-yl)methanone is sourced from PubChem (CID 124963206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).