4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide

C25H24N2O4 — CID 30177336

About 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide (PubChem CID 30177336) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide.

Molecular Properties

• Compound Name: 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide
• PubChem CID: 30177336
• Molecular Formula: C25H24N2O4
• Molecular Weight: 416.48 g/mol
• Exact Mass: 416.17
• IUPAC Name: 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide
• SMILES: COc1ccc2cc(CNC(=O)c3ccc(OCc4c(C)noc4C)cc3)ccc2c1
• InChI: InChI=1S/C25H24N2O4/c1-16-24(17(2)31-27-16)15-30-22-9-6-19(7-10-22)25(28)26-14-18-4-5-21-13-23(29-3)11-8-20(21)12-18/h4-13H,14-15H2,1-3H3,(H,26,28)
• InChIKey: OIJNTFATABNSCU-UHFFFAOYSA-N
• XLogP: 4.96
• TPSA: 73.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.48
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide?

The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide (CID 30177336) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide.

What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide?

The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide is COc1ccc2cc(CNC(=O)c3ccc(OCc4c(C)noc4C)cc3)ccc2c1.

What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide?

The InChIKey is OIJNTFATABNSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-16-24(17(2)31-27-16)15-30-22-9-6-19(7-10-22)25(28)26-14-18-4-5-21-13-23(29-3)11-8-20(21)12-18/h4-13H,14-15H2,1-3H3,(H,26,28).

What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide?

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide has a molecular weight of 416.48 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide is sourced from PubChem (CID 30177336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).