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

C18H19N3O5S — CID 8649006

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

[2-oxo-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethyl] 2-methylfuran-3-carboxylate (PubChem CID 8649006) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is [2-oxo-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethyl] 2-methylfuran-3-carboxylate.

Molecular Properties

• Compound Name: [2-oxo-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethyl] 2-methylfuran-3-carboxylate
• PubChem CID: 8649006
• Molecular Formula: C18H19N3O5S
• Molecular Weight: 389.43 g/mol
• Exact Mass: 389.10
• IUPAC Name: [2-oxo-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethyl] 2-methylfuran-3-carboxylate
• SMILES: CCCN(Cc1nnc(-c2cccs2)o1)C(=O)COC(=O)c1ccoc1C
• InChI: InChI=1S/C18H19N3O5S/c1-3-7-21(10-15-19-20-17(26-15)14-5-4-9-27-14)16(22)11-25-18(23)13-6-8-24-12(13)2/h4-6,8-9H,3,7,10-11H2,1-2H3
• InChIKey: SOIXNUGEAWMGKV-UHFFFAOYSA-N
• XLogP: 3.30
• TPSA: 98.67 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.43
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	0
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] 2-methylfuran-3-carboxylate?

The IUPAC name of [2-oxo-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethyl] 2-methylfuran-3-carboxylate (CID 8649006) is [2-oxo-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethyl] 2-methylfuran-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] 2-methylfuran-3-carboxylate?

The canonical SMILES for [2-oxo-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethyl] 2-methylfuran-3-carboxylate is CCCN(Cc1nnc(-c2cccs2)o1)C(=O)COC(=O)c1ccoc1C.

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

The InChIKey is SOIXNUGEAWMGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5S/c1-3-7-21(10-15-19-20-17(26-15)14-5-4-9-27-14)16(22)11-25-18(23)13-6-8-24-12(13)2/h4-6,8-9H,3,7,10-11H2,1-2H3.

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

[2-oxo-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethyl] 2-methylfuran-3-carboxylate has a molecular weight of 389.43 g/mol, XLogP of 3.30, 8 rotatable bonds, 0 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] 2-methylfuran-3-carboxylate is sourced from PubChem (CID 8649006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).