[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate

C20H18N4O6 — CID 7554006

About [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate

[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 7554006) has the molecular formula C20H18N4O6 and a molecular weight of 410.39 g/mol. Its IUPAC name is [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

• Compound Name: [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
• PubChem CID: 7554006
• Molecular Formula: C20H18N4O6
• Molecular Weight: 410.39 g/mol
• Exact Mass: 410.12
• IUPAC Name: [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
• SMILES: O=C(COC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)Nc1nnc(-c2ccccc2)o1
• InChI: InChI=1S/C20H18N4O6/c25-16(21-20-23-22-18(30-20)13-5-2-1-3-6-13)12-29-19(27)14-9-17(26)24(10-14)11-15-7-4-8-28-15/h1-8,14H,9-12H2,(H,21,23,25)/t14-/m1/s1
• InChIKey: YAPNBIBAHINJTB-CQSZACIVSA-N
• XLogP: 1.86
• TPSA: 127.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.39
LogP ≤ 5	1.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate?

The IUPAC name of [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate (CID 7554006) is [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate.

What is the SMILES notation for [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate?

The canonical SMILES for [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate is O=C(COC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)Nc1nnc(-c2ccccc2)o1.

What is the InChIKey of [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate?

The InChIKey is YAPNBIBAHINJTB-CQSZACIVSA-N. The full InChI is InChI=1S/C20H18N4O6/c25-16(21-20-23-22-18(30-20)13-5-2-1-3-6-13)12-29-19(27)14-9-17(26)24(10-14)11-15-7-4-8-28-15/h1-8,14H,9-12H2,(H,21,23,25)/t14-/m1/s1.

What are the key properties of [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate?

[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 410.39 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 7554006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).