4-[(2,5-dimethylphenoxy)methyl]-5-methyl-N-[5-methyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide

C26H28N4O3 — CID 19444890

About 4-[(2,5-dimethylphenoxy)methyl]-5-methyl-N-[5-methyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide

4-[(2,5-dimethylphenoxy)methyl]-5-methyl-N-[5-methyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 19444890) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is 4-[(2,5-dimethylphenoxy)methyl]-5-methyl-N-[5-methyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 4-[(2,5-dimethylphenoxy)methyl]-5-methyl-N-[5-methyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide
• PubChem CID: 19444890
• Molecular Formula: C26H28N4O3
• Molecular Weight: 444.54 g/mol
• Exact Mass: 444.22
• IUPAC Name: 4-[(2,5-dimethylphenoxy)methyl]-5-methyl-N-[5-methyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide
• SMILES: Cc1cccc(Cn2nc(NC(=O)c3noc(C)c3COc3cc(C)ccc3C)cc2C)c1
• InChI: InChI=1S/C26H28N4O3/c1-16-7-6-8-21(11-16)14-30-19(4)13-24(28-30)27-26(31)25-22(20(5)33-29-25)15-32-23-12-17(2)9-10-18(23)3/h6-13H,14-15H2,1-5H3,(H,27,28,31)
• InChIKey: UXQYAMXJGZEUNZ-UHFFFAOYSA-N
• XLogP: 5.29
• TPSA: 82.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	444.54
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylphenoxy)methyl]-5-methyl-N-[5-methyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide?

The IUPAC name of 4-[(2,5-dimethylphenoxy)methyl]-5-methyl-N-[5-methyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide (CID 19444890) is 4-[(2,5-dimethylphenoxy)methyl]-5-methyl-N-[5-methyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 4-[(2,5-dimethylphenoxy)methyl]-5-methyl-N-[5-methyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for 4-[(2,5-dimethylphenoxy)methyl]-5-methyl-N-[5-methyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide is Cc1cccc(Cn2nc(NC(=O)c3noc(C)c3COc3cc(C)ccc3C)cc2C)c1.

What is the InChIKey of 4-[(2,5-dimethylphenoxy)methyl]-5-methyl-N-[5-methyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide?

The InChIKey is UXQYAMXJGZEUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-16-7-6-8-21(11-16)14-30-19(4)13-24(28-30)27-26(31)25-22(20(5)33-29-25)15-32-23-12-17(2)9-10-18(23)3/h6-13H,14-15H2,1-5H3,(H,27,28,31).

What are the key properties of 4-[(2,5-dimethylphenoxy)methyl]-5-methyl-N-[5-methyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide?

4-[(2,5-dimethylphenoxy)methyl]-5-methyl-N-[5-methyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 444.54 g/mol, XLogP of 5.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2,5-dimethylphenoxy)methyl]-5-methyl-N-[5-methyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19444890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).