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

C25H24FN3O3 — CID 124958984

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

(6-fluoro-1H-indol-2-yl)-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone (PubChem CID 124958984) has the molecular formula C25H24FN3O3 and a molecular weight of 433.48 g/mol. Its IUPAC name is (6-fluoro-1H-indol-2-yl)-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (6-fluoro-1H-indol-2-yl)-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
• PubChem CID: 124958984
• Molecular Formula: C25H24FN3O3
• Molecular Weight: 433.48 g/mol
• Exact Mass: 433.18
• IUPAC Name: (6-fluoro-1H-indol-2-yl)-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
• SMILES: COc1ccccc1Cc1cnc([C@@H]2CCCCN2C(=O)c2cc3ccc(F)cc3[nH]2)o1
• InChI: InChI=1S/C25H24FN3O3/c1-31-23-8-3-2-6-17(23)12-19-15-27-24(32-19)22-7-4-5-11-29(22)25(30)21-13-16-9-10-18(26)14-20(16)28-21/h2-3,6,8-10,13-15,22,28H,4-5,7,11-12H2,1H3/t22-/m0/s1
• InChIKey: GJWGMJFYLBQYIH-QFIPXVFZSA-N
• XLogP: 5.26
• TPSA: 71.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.48
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (6-fluoro-1H-indol-2-yl)-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone (CID 124958984) is (6-fluoro-1H-indol-2-yl)-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone.

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

The canonical SMILES for (6-fluoro-1H-indol-2-yl)-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone is COc1ccccc1Cc1cnc([C@@H]2CCCCN2C(=O)c2cc3ccc(F)cc3[nH]2)o1.

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

The InChIKey is GJWGMJFYLBQYIH-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H24FN3O3/c1-31-23-8-3-2-6-17(23)12-19-15-27-24(32-19)22-7-4-5-11-29(22)25(30)21-13-16-9-10-18(26)14-20(16)28-21/h2-3,6,8-10,13-15,22,28H,4-5,7,11-12H2,1H3/t22-/m0/s1.

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

(6-fluoro-1H-indol-2-yl)-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 433.48 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (6-fluoro-1H-indol-2-yl)-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 124958984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).