[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone

C25H24FN3O2 — CID 124972564

About [(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone

[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone (PubChem CID 124972564) has the molecular formula C25H24FN3O2 and a molecular weight of 417.48 g/mol. Its IUPAC name is [(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone.

Molecular Properties

• Compound Name: [(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone
• PubChem CID: 124972564
• Molecular Formula: C25H24FN3O2
• Molecular Weight: 417.48 g/mol
• Exact Mass: 417.19
• IUPAC Name: [(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone
• SMILES: Cc1ccc2cc(C(=O)N3CCC[C@H](c4ncc(Cc5cccc(F)c5)o4)C3)[nH]c2c1
• InChI: InChI=1S/C25H24FN3O2/c1-16-7-8-18-13-23(28-22(18)10-16)25(30)29-9-3-5-19(15-29)24-27-14-21(31-24)12-17-4-2-6-20(26)11-17/h2,4,6-8,10-11,13-14,19,28H,3,5,9,12,15H2,1H3/t19-/m0/s1
• InChIKey: KEBQCDDAGYURNB-IBGZPJMESA-N
• XLogP: 5.21
• 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	5.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone?

The IUPAC name of [(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone (CID 124972564) is [(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone.

What is the SMILES notation for [(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone?

The canonical SMILES for [(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone is Cc1ccc2cc(C(=O)N3CCC[C@H](c4ncc(Cc5cccc(F)c5)o4)C3)[nH]c2c1.

What is the InChIKey of [(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone?

The InChIKey is KEBQCDDAGYURNB-IBGZPJMESA-N. The full InChI is InChI=1S/C25H24FN3O2/c1-16-7-8-18-13-23(28-22(18)10-16)25(30)29-9-3-5-19(15-29)24-27-14-21(31-24)12-17-4-2-6-20(26)11-17/h2,4,6-8,10-11,13-14,19,28H,3,5,9,12,15H2,1H3/t19-/m0/s1.

What are the key properties of [(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone?

[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone has a molecular weight of 417.48 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone is sourced from PubChem (CID 124972564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).