3,4,5-trimethoxy-N-[5-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide

C22H22N4O6 — CID 92884603

About 3,4,5-trimethoxy-N-[5-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide

3,4,5-trimethoxy-N-[5-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 92884603) has the molecular formula C22H22N4O6 and a molecular weight of 438.44 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[5-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 3,4,5-trimethoxy-N-[5-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide
• PubChem CID: 92884603
• Molecular Formula: C22H22N4O6
• Molecular Weight: 438.44 g/mol
• Exact Mass: 438.15
• IUPAC Name: 3,4,5-trimethoxy-N-[5-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide
• SMILES: COc1cc(C(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccccc4)C3)o2)cc(OC)c1OC
• InChI: InChI=1S/C22H22N4O6/c1-29-16-9-13(10-17(30-2)19(16)31-3)20(28)23-22-25-24-21(32-22)14-11-18(27)26(12-14)15-7-5-4-6-8-15/h4-10,14H,11-12H2,1-3H3,(H,23,25,28)/t14-/m1/s1
• InChIKey: OVPRJYCSFNAATO-CQSZACIVSA-N
• XLogP: 2.87
• TPSA: 116.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.44
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[5-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide?

The IUPAC name of 3,4,5-trimethoxy-N-[5-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide (CID 92884603) is 3,4,5-trimethoxy-N-[5-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide.

What is the SMILES notation for 3,4,5-trimethoxy-N-[5-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide?

The canonical SMILES for 3,4,5-trimethoxy-N-[5-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide is COc1cc(C(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccccc4)C3)o2)cc(OC)c1OC.

What is the InChIKey of 3,4,5-trimethoxy-N-[5-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide?

The InChIKey is OVPRJYCSFNAATO-CQSZACIVSA-N. The full InChI is InChI=1S/C22H22N4O6/c1-29-16-9-13(10-17(30-2)19(16)31-3)20(28)23-22-25-24-21(32-22)14-11-18(27)26(12-14)15-7-5-4-6-8-15/h4-10,14H,11-12H2,1-3H3,(H,23,25,28)/t14-/m1/s1.

What are the key properties of 3,4,5-trimethoxy-N-[5-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide?

3,4,5-trimethoxy-N-[5-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 438.44 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4,5-trimethoxy-N-[5-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 92884603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).