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

C25H26N4O3 — CID 19488430

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

5-methyl-N-[5-methyl-1-[(2-methylphenyl)methyl]pyrazol-3-yl]-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 19488430) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 5-methyl-N-[5-methyl-1-[(2-methylphenyl)methyl]pyrazol-3-yl]-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-methyl-N-[5-methyl-1-[(2-methylphenyl)methyl]pyrazol-3-yl]-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
• PubChem CID: 19488430
• Molecular Formula: C25H26N4O3
• Molecular Weight: 430.51 g/mol
• Exact Mass: 430.20
• IUPAC Name: 5-methyl-N-[5-methyl-1-[(2-methylphenyl)methyl]pyrazol-3-yl]-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
• SMILES: Cc1cccc(OCc2c(C(=O)Nc3cc(C)n(Cc4ccccc4C)n3)noc2C)c1
• InChI: InChI=1S/C25H26N4O3/c1-16-8-7-11-21(12-16)31-15-22-19(4)32-28-24(22)25(30)26-23-13-18(3)29(27-23)14-20-10-6-5-9-17(20)2/h5-13H,14-15H2,1-4H3,(H,26,27,30)
• InChIKey: WVNDYUZMQQTSCU-UHFFFAOYSA-N
• XLogP: 4.98
• TPSA: 82.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.51
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-methyl-N-[5-methyl-1-[(2-methylphenyl)methyl]pyrazol-3-yl]-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide (CID 19488430) is 5-methyl-N-[5-methyl-1-[(2-methylphenyl)methyl]pyrazol-3-yl]-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide.

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

The canonical SMILES for 5-methyl-N-[5-methyl-1-[(2-methylphenyl)methyl]pyrazol-3-yl]-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide is Cc1cccc(OCc2c(C(=O)Nc3cc(C)n(Cc4ccccc4C)n3)noc2C)c1.

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

The InChIKey is WVNDYUZMQQTSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-16-8-7-11-21(12-16)31-15-22-19(4)32-28-24(22)25(30)26-23-13-18(3)29(27-23)14-20-10-6-5-9-17(20)2/h5-13H,14-15H2,1-4H3,(H,26,27,30).

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

5-methyl-N-[5-methyl-1-[(2-methylphenyl)methyl]pyrazol-3-yl]-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-[5-methyl-1-[(2-methylphenyl)methyl]pyrazol-3-yl]-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19488430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).