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

C19H23N5O4S — CID 55531499

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

[2-oxo-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethyl] 5-propyl-1H-pyrazole-3-carboxylate (PubChem CID 55531499) has the molecular formula C19H23N5O4S and a molecular weight of 417.49 g/mol. Its IUPAC name is [2-oxo-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethyl] 5-propyl-1H-pyrazole-3-carboxylate.

Molecular Properties

• Compound Name: [2-oxo-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethyl] 5-propyl-1H-pyrazole-3-carboxylate
• PubChem CID: 55531499
• Molecular Formula: C19H23N5O4S
• Molecular Weight: 417.49 g/mol
• Exact Mass: 417.15
• IUPAC Name: [2-oxo-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethyl] 5-propyl-1H-pyrazole-3-carboxylate
• SMILES: CCCc1cc(C(=O)OCC(=O)N(CCC)Cc2nnc(-c3cccs3)o2)n[nH]1
• InChI: InChI=1S/C19H23N5O4S/c1-3-6-13-10-14(21-20-13)19(26)27-12-17(25)24(8-4-2)11-16-22-23-18(28-16)15-7-5-9-29-15/h5,7,9-10H,3-4,6,8,11-12H2,1-2H3,(H,20,21)
• InChIKey: BMGQMBVOKRQIPT-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 114.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.49
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

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] 5-propyl-1H-pyrazole-3-carboxylate?

The IUPAC name of [2-oxo-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethyl] 5-propyl-1H-pyrazole-3-carboxylate (CID 55531499) is [2-oxo-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethyl] 5-propyl-1H-pyrazole-3-carboxylate.

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

The canonical SMILES for [2-oxo-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethyl] 5-propyl-1H-pyrazole-3-carboxylate is CCCc1cc(C(=O)OCC(=O)N(CCC)Cc2nnc(-c3cccs3)o2)n[nH]1.

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

The InChIKey is BMGQMBVOKRQIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4S/c1-3-6-13-10-14(21-20-13)19(26)27-12-17(25)24(8-4-2)11-16-22-23-18(28-16)15-7-5-9-29-15/h5,7,9-10H,3-4,6,8,11-12H2,1-2H3,(H,20,21).

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

[2-oxo-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethyl] 5-propyl-1H-pyrazole-3-carboxylate has a molecular weight of 417.49 g/mol, XLogP of 3.07, 10 rotatable bonds, 1 hydrogen bond donors, and 8 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] 5-propyl-1H-pyrazole-3-carboxylate is sourced from PubChem (CID 55531499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).