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

C24H22N4O3 — CID 55963336

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

3,5-dimethyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-4-(pyridin-3-ylmethoxy)benzamide (PubChem CID 55963336) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-4-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

• Compound Name: 3,5-dimethyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-4-(pyridin-3-ylmethoxy)benzamide
• PubChem CID: 55963336
• Molecular Formula: C24H22N4O3
• Molecular Weight: 414.47 g/mol
• Exact Mass: 414.17
• IUPAC Name: 3,5-dimethyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-4-(pyridin-3-ylmethoxy)benzamide
• SMILES: Cc1ccc(-c2nnco2)cc1NC(=O)c1cc(C)c(OCc2cccnc2)c(C)c1
• InChI: InChI=1S/C24H22N4O3/c1-15-6-7-19(24-28-26-14-31-24)11-21(15)27-23(29)20-9-16(2)22(17(3)10-20)30-13-18-5-4-8-25-12-18/h4-12,14H,13H2,1-3H3,(H,27,29)
• InChIKey: JGYWVOBUQJIJBD-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 90.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.47
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3,5-dimethyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-4-(pyridin-3-ylmethoxy)benzamide (CID 55963336) is 3,5-dimethyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-4-(pyridin-3-ylmethoxy)benzamide.

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

The canonical SMILES for 3,5-dimethyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-4-(pyridin-3-ylmethoxy)benzamide is Cc1ccc(-c2nnco2)cc1NC(=O)c1cc(C)c(OCc2cccnc2)c(C)c1.

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

The InChIKey is JGYWVOBUQJIJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-15-6-7-19(24-28-26-14-31-24)11-21(15)27-23(29)20-9-16(2)22(17(3)10-20)30-13-18-5-4-8-25-12-18/h4-12,14H,13H2,1-3H3,(H,27,29).

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

3,5-dimethyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-4-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 414.47 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-4-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 55963336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).