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

C19H22N6O4S — CID 55641107

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

[2-oxo-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate (PubChem CID 55641107) has the molecular formula C19H22N6O4S and a molecular weight of 430.49 g/mol. Its IUPAC name is [2-oxo-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate.

Molecular Properties

• Compound Name: [2-oxo-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
• PubChem CID: 55641107
• Molecular Formula: C19H22N6O4S
• Molecular Weight: 430.49 g/mol
• Exact Mass: 430.14
• IUPAC Name: [2-oxo-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
• SMILES: CCCN(Cc1nnc(-c2cccs2)o1)C(=O)COC(=O)CN(C)c1ncccn1
• InChI: InChI=1S/C19H22N6O4S/c1-3-9-25(11-15-22-23-18(29-15)14-6-4-10-30-14)16(26)13-28-17(27)12-24(2)19-20-7-5-8-21-19/h4-8,10H,3,9,11-13H2,1-2H3
• InChIKey: XTOYXZCELPAEAD-UHFFFAOYSA-N
• XLogP: 2.01
• TPSA: 114.55 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.49
LogP ≤ 5	2.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

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] 2-[methyl(pyrimidin-2-yl)amino]acetate?

The IUPAC name of [2-oxo-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate (CID 55641107) is [2-oxo-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate.

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

The canonical SMILES for [2-oxo-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate is CCCN(Cc1nnc(-c2cccs2)o1)C(=O)COC(=O)CN(C)c1ncccn1.

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

The InChIKey is XTOYXZCELPAEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O4S/c1-3-9-25(11-15-22-23-18(29-15)14-6-4-10-30-14)16(26)13-28-17(27)12-24(2)19-20-7-5-8-21-19/h4-8,10H,3,9,11-13H2,1-2H3.

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

[2-oxo-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate has a molecular weight of 430.49 g/mol, XLogP of 2.01, 10 rotatable bonds, 0 hydrogen bond donors, and 10 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] 2-[methyl(pyrimidin-2-yl)amino]acetate is sourced from PubChem (CID 55641107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).