[2-oxo-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethyl] 3,3-diphenylpropanoate

C27H27N3O4S — CID 16564460

About [2-oxo-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethyl] 3,3-diphenylpropanoate

[2-oxo-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethyl] 3,3-diphenylpropanoate (PubChem CID 16564460) has the molecular formula C27H27N3O4S and a molecular weight of 489.60 g/mol. Its IUPAC name is [2-oxo-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethyl] 3,3-diphenylpropanoate.

Molecular Properties

• Compound Name: [2-oxo-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethyl] 3,3-diphenylpropanoate
• PubChem CID: 16564460
• Molecular Formula: C27H27N3O4S
• Molecular Weight: 489.60 g/mol
• Exact Mass: 489.17
• IUPAC Name: [2-oxo-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethyl] 3,3-diphenylpropanoate
• SMILES: CCCN(Cc1nnc(-c2cccs2)o1)C(=O)COC(=O)CC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C27H27N3O4S/c1-2-15-30(18-24-28-29-27(34-24)23-14-9-16-35-23)25(31)19-33-26(32)17-22(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-14,16,22H,2,15,17-19H2,1H3
• InChIKey: QXOHSOVXONIANL-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 85.53 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.60
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethyl] 3,3-diphenylpropanoate?

The IUPAC name of [2-oxo-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethyl] 3,3-diphenylpropanoate (CID 16564460) is [2-oxo-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethyl] 3,3-diphenylpropanoate.

What is the SMILES notation for [2-oxo-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethyl] 3,3-diphenylpropanoate?

The canonical SMILES for [2-oxo-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethyl] 3,3-diphenylpropanoate is CCCN(Cc1nnc(-c2cccs2)o1)C(=O)COC(=O)CC(c1ccccc1)c1ccccc1.

What is the InChIKey of [2-oxo-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethyl] 3,3-diphenylpropanoate?

The InChIKey is QXOHSOVXONIANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O4S/c1-2-15-30(18-24-28-29-27(34-24)23-14-9-16-35-23)25(31)19-33-26(32)17-22(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-14,16,22H,2,15,17-19H2,1H3.

What are the key properties of [2-oxo-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethyl] 3,3-diphenylpropanoate?

[2-oxo-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethyl] 3,3-diphenylpropanoate has a molecular weight of 489.60 g/mol, XLogP of 5.30, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-oxo-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethyl] 3,3-diphenylpropanoate is sourced from PubChem (CID 16564460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).