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

C25H26N4O4 — CID 22427442

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

5-(3,4-dimethoxyphenyl)-N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide (PubChem CID 22427442) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(3,4-dimethoxyphenyl)-N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
• PubChem CID: 22427442
• Molecular Formula: C25H26N4O4
• Molecular Weight: 446.51 g/mol
• Exact Mass: 446.20
• IUPAC Name: 5-(3,4-dimethoxyphenyl)-N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
• SMILES: COc1ccc(-c2cc(C(=O)Nc3c(C)nn(Cc4ccccc4C)c3C)no2)cc1OC
• InChI: InChI=1S/C25H26N4O4/c1-15-8-6-7-9-19(15)14-29-17(3)24(16(2)27-29)26-25(30)20-13-22(33-28-20)18-10-11-21(31-4)23(12-18)32-5/h6-13H,14H2,1-5H3,(H,26,30)
• InChIKey: HJXLSEXEUBLBIG-UHFFFAOYSA-N
• XLogP: 4.78
• TPSA: 91.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.51
LogP ≤ 5	4.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-(3,4-dimethoxyphenyl)-N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide (CID 22427442) is 5-(3,4-dimethoxyphenyl)-N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide.

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

The canonical SMILES for 5-(3,4-dimethoxyphenyl)-N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide is COc1ccc(-c2cc(C(=O)Nc3c(C)nn(Cc4ccccc4C)c3C)no2)cc1OC.

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

The InChIKey is HJXLSEXEUBLBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4/c1-15-8-6-7-9-19(15)14-29-17(3)24(16(2)27-29)26-25(30)20-13-22(33-28-20)18-10-11-21(31-4)23(12-18)32-5/h6-13H,14H2,1-5H3,(H,26,30).

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

5-(3,4-dimethoxyphenyl)-N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 446.51 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3,4-dimethoxyphenyl)-N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 22427442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).