3,5-dimethyl-N-[phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide

C22H24N4O2 — CID 53159600

About 3,5-dimethyl-N-[phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide

3,5-dimethyl-N-[phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide (PubChem CID 53159600) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3,5-dimethyl-N-[phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide.

Molecular Properties

• Compound Name: 3,5-dimethyl-N-[phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
• PubChem CID: 53159600
• Molecular Formula: C22H24N4O2
• Molecular Weight: 376.46 g/mol
• Exact Mass: 376.19
• IUPAC Name: 3,5-dimethyl-N-[phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
• SMILES: Cc1cc(C)cc(C(=O)NC(c2ccccc2)c2nnc(N3CCCC3)o2)c1
• InChI: InChI=1S/C22H24N4O2/c1-15-12-16(2)14-18(13-15)20(27)23-19(17-8-4-3-5-9-17)21-24-25-22(28-21)26-10-6-7-11-26/h3-5,8-9,12-14,19H,6-7,10-11H2,1-2H3,(H,23,27)
• InChIKey: BUYPWLOLRUFXJR-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 71.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.46
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?

The IUPAC name of 3,5-dimethyl-N-[phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide (CID 53159600) is 3,5-dimethyl-N-[phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide.

What is the SMILES notation for 3,5-dimethyl-N-[phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?

The canonical SMILES for 3,5-dimethyl-N-[phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide is Cc1cc(C)cc(C(=O)NC(c2ccccc2)c2nnc(N3CCCC3)o2)c1.

What is the InChIKey of 3,5-dimethyl-N-[phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?

The InChIKey is BUYPWLOLRUFXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15-12-16(2)14-18(13-15)20(27)23-19(17-8-4-3-5-9-17)21-24-25-22(28-21)26-10-6-7-11-26/h3-5,8-9,12-14,19H,6-7,10-11H2,1-2H3,(H,23,27).

What are the key properties of 3,5-dimethyl-N-[phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?

3,5-dimethyl-N-[phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide has a molecular weight of 376.46 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethyl-N-[phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 53159600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).