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

C26H27N3O4 — CID 110119545

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

(5-methoxy-1H-indol-2-yl)-[3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone (PubChem CID 110119545) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is (5-methoxy-1H-indol-2-yl)-[3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (5-methoxy-1H-indol-2-yl)-[3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
• PubChem CID: 110119545
• Molecular Formula: C26H27N3O4
• Molecular Weight: 445.52 g/mol
• Exact Mass: 445.20
• IUPAC Name: (5-methoxy-1H-indol-2-yl)-[3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
• SMILES: COc1ccc2[nH]c(C(=O)N3CCCC(c4ncc(Cc5ccccc5OC)o4)C3)cc2c1
• InChI: InChI=1S/C26H27N3O4/c1-31-20-9-10-22-19(13-20)14-23(28-22)26(30)29-11-5-7-18(16-29)25-27-15-21(33-25)12-17-6-3-4-8-24(17)32-2/h3-4,6,8-10,13-15,18,28H,5,7,11-12,16H2,1-2H3
• InChIKey: APMBZWQVQCCXJT-UHFFFAOYSA-N
• XLogP: 4.78
• TPSA: 80.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.52
LogP ≤ 5	4.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (5-methoxy-1H-indol-2-yl)-[3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone (CID 110119545) is (5-methoxy-1H-indol-2-yl)-[3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone.

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

The canonical SMILES for (5-methoxy-1H-indol-2-yl)-[3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone is COc1ccc2[nH]c(C(=O)N3CCCC(c4ncc(Cc5ccccc5OC)o4)C3)cc2c1.

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

The InChIKey is APMBZWQVQCCXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-31-20-9-10-22-19(13-20)14-23(28-22)26(30)29-11-5-7-18(16-29)25-27-15-21(33-25)12-17-6-3-4-8-24(17)32-2/h3-4,6,8-10,13-15,18,28H,5,7,11-12,16H2,1-2H3.

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

(5-methoxy-1H-indol-2-yl)-[3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 445.52 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5-methoxy-1H-indol-2-yl)-[3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 110119545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).