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

C26H27N3O3 — CID 110119656

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

[3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone (PubChem CID 110119656) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is [3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone.

Molecular Properties

• Compound Name: [3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone
• PubChem CID: 110119656
• Molecular Formula: C26H27N3O3
• Molecular Weight: 429.52 g/mol
• Exact Mass: 429.21
• IUPAC Name: [3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone
• SMILES: COc1cccc(Cc2cnc(C3CCCN(C(=O)c4cc5ccc(C)cc5[nH]4)C3)o2)c1
• InChI: InChI=1S/C26H27N3O3/c1-17-8-9-19-14-24(28-23(19)11-17)26(30)29-10-4-6-20(16-29)25-27-15-22(32-25)13-18-5-3-7-21(12-18)31-2/h3,5,7-9,11-12,14-15,20,28H,4,6,10,13,16H2,1-2H3
• InChIKey: QYZXNQPCIWALGP-UHFFFAOYSA-N
• XLogP: 5.08
• 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	429.52
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of [3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone (CID 110119656) is [3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone.

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

The canonical SMILES for [3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone is COc1cccc(Cc2cnc(C3CCCN(C(=O)c4cc5ccc(C)cc5[nH]4)C3)o2)c1.

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

The InChIKey is QYZXNQPCIWALGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-17-8-9-19-14-24(28-23(19)11-17)26(30)29-10-4-6-20(16-29)25-27-15-22(32-25)13-18-5-3-7-21(12-18)31-2/h3,5,7-9,11-12,14-15,20,28H,4,6,10,13,16H2,1-2H3.

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

[3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone has a molecular weight of 429.52 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone is sourced from PubChem (CID 110119656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).