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

C22H20N4O4 — CID 55731689

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

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide (PubChem CID 55731689) has the molecular formula C22H20N4O4 and a molecular weight of 404.43 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide.

Molecular Properties

• Compound Name: 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide
• PubChem CID: 55731689
• Molecular Formula: C22H20N4O4
• Molecular Weight: 404.43 g/mol
• Exact Mass: 404.15
• IUPAC Name: 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide
• SMILES: Cc1ccc(-c2nnco2)cc1NC(=O)c1cccc(OCc2c(C)noc2C)c1
• InChI: InChI=1S/C22H20N4O4/c1-13-7-8-17(22-25-23-12-29-22)10-20(13)24-21(27)16-5-4-6-18(9-16)28-11-19-14(2)26-30-15(19)3/h4-10,12H,11H2,1-3H3,(H,24,27)
• InChIKey: OWNDBJLLSRISSA-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 103.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.43
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide (CID 55731689) is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide.

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

The canonical SMILES for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide is Cc1ccc(-c2nnco2)cc1NC(=O)c1cccc(OCc2c(C)noc2C)c1.

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

The InChIKey is OWNDBJLLSRISSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4/c1-13-7-8-17(22-25-23-12-29-22)10-20(13)24-21(27)16-5-4-6-18(9-16)28-11-19-14(2)26-30-15(19)3/h4-10,12H,11H2,1-3H3,(H,24,27).

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

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide has a molecular weight of 404.43 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 55731689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).