1-(furan-2-ylmethoxy)-3-[3-methoxypropyl-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]amino]propan-2-ol

C28H39N3O5 — CID 46028039

About 1-(furan-2-ylmethoxy)-3-[3-methoxypropyl-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]amino]propan-2-ol

1-(furan-2-ylmethoxy)-3-[3-methoxypropyl-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]amino]propan-2-ol (PubChem CID 46028039) has the molecular formula C28H39N3O5 and a molecular weight of 497.64 g/mol. Its IUPAC name is 1-(furan-2-ylmethoxy)-3-[3-methoxypropyl-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]amino]propan-2-ol.

Molecular Properties

• Compound Name: 1-(furan-2-ylmethoxy)-3-[3-methoxypropyl-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]amino]propan-2-ol
• PubChem CID: 46028039
• Molecular Formula: C28H39N3O5
• Molecular Weight: 497.64 g/mol
• Exact Mass: 497.29
• IUPAC Name: 1-(furan-2-ylmethoxy)-3-[3-methoxypropyl-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]amino]propan-2-ol
• SMILES: COCCCN(Cc1c(-c2ccccc2)noc1N1CCCCC1C)CC(O)COCc1ccco1
• InChI: InChI=1S/C28H39N3O5/c1-22-10-6-7-15-31(22)28-26(27(29-36-28)23-11-4-3-5-12-23)19-30(14-9-16-33-2)18-24(32)20-34-21-25-13-8-17-35-25/h3-5,8,11-13,17,22,24,32H,6-7,9-10,14-16,18-21H2,1-2H3
• InChIKey: GXZSUAVRULGIQX-UHFFFAOYSA-N
• XLogP: 4.73
• TPSA: 84.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.64
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethoxy)-3-[3-methoxypropyl-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]amino]propan-2-ol?

The IUPAC name of 1-(furan-2-ylmethoxy)-3-[3-methoxypropyl-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]amino]propan-2-ol (CID 46028039) is 1-(furan-2-ylmethoxy)-3-[3-methoxypropyl-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]amino]propan-2-ol.

What is the SMILES notation for 1-(furan-2-ylmethoxy)-3-[3-methoxypropyl-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]amino]propan-2-ol?

The canonical SMILES for 1-(furan-2-ylmethoxy)-3-[3-methoxypropyl-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]amino]propan-2-ol is COCCCN(Cc1c(-c2ccccc2)noc1N1CCCCC1C)CC(O)COCc1ccco1.

What is the InChIKey of 1-(furan-2-ylmethoxy)-3-[3-methoxypropyl-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]amino]propan-2-ol?

The InChIKey is GXZSUAVRULGIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N3O5/c1-22-10-6-7-15-31(22)28-26(27(29-36-28)23-11-4-3-5-12-23)19-30(14-9-16-33-2)18-24(32)20-34-21-25-13-8-17-35-25/h3-5,8,11-13,17,22,24,32H,6-7,9-10,14-16,18-21H2,1-2H3.

What are the key properties of 1-(furan-2-ylmethoxy)-3-[3-methoxypropyl-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]amino]propan-2-ol?

1-(furan-2-ylmethoxy)-3-[3-methoxypropyl-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]amino]propan-2-ol has a molecular weight of 497.64 g/mol, XLogP of 4.73, 14 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(furan-2-ylmethoxy)-3-[3-methoxypropyl-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]amino]propan-2-ol is sourced from PubChem (CID 46028039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).