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

C26H27N3O4 — CID 125021984

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

(5-methoxy-1H-indol-2-yl)-[(2R)-2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone (PubChem CID 125021984) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is (5-methoxy-1H-indol-2-yl)-[(2R)-2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (5-methoxy-1H-indol-2-yl)-[(2R)-2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
• PubChem CID: 125021984
• Molecular Formula: C26H27N3O4
• Molecular Weight: 445.52 g/mol
• Exact Mass: 445.20
• IUPAC Name: (5-methoxy-1H-indol-2-yl)-[(2R)-2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
• SMILES: COc1cccc(Cc2cnc([C@H]3CCCCN3C(=O)c3cc4cc(OC)ccc4[nH]3)o2)c1
• InChI: InChI=1S/C26H27N3O4/c1-31-19-7-5-6-17(12-19)13-21-16-27-25(33-21)24-8-3-4-11-29(24)26(30)23-15-18-14-20(32-2)9-10-22(18)28-23/h5-7,9-10,12,14-16,24,28H,3-4,8,11,13H2,1-2H3/t24-/m1/s1
• InChIKey: YNOTYTWGZKXILL-XMMPIXPASA-N
• XLogP: 5.13
• TPSA: 80.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	445.52
LogP ≤ 5	5.13
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)-[(2R)-2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone?

The IUPAC name of (5-methoxy-1H-indol-2-yl)-[(2R)-2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone (CID 125021984) is (5-methoxy-1H-indol-2-yl)-[(2R)-2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone.

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

The canonical SMILES for (5-methoxy-1H-indol-2-yl)-[(2R)-2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone is COc1cccc(Cc2cnc([C@H]3CCCCN3C(=O)c3cc4cc(OC)ccc4[nH]3)o2)c1.

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

The InChIKey is YNOTYTWGZKXILL-XMMPIXPASA-N. The full InChI is InChI=1S/C26H27N3O4/c1-31-19-7-5-6-17(12-19)13-21-16-27-25(33-21)24-8-3-4-11-29(24)26(30)23-15-18-14-20(32-2)9-10-22(18)28-23/h5-7,9-10,12,14-16,24,28H,3-4,8,11,13H2,1-2H3/t24-/m1/s1.

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

(5-methoxy-1H-indol-2-yl)-[(2R)-2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 445.52 g/mol, XLogP of 5.13, 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)-[(2R)-2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 125021984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).