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

C24H22F2N4O3 — CID 19484072

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

4-[(2,4-difluorophenoxy)methyl]-5-methyl-N-[5-methyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 19484072) has the molecular formula C24H22F2N4O3 and a molecular weight of 452.46 g/mol. Its IUPAC name is 4-[(2,4-difluorophenoxy)methyl]-5-methyl-N-[5-methyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 4-[(2,4-difluorophenoxy)methyl]-5-methyl-N-[5-methyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide
• PubChem CID: 19484072
• Molecular Formula: C24H22F2N4O3
• Molecular Weight: 452.46 g/mol
• Exact Mass: 452.17
• IUPAC Name: 4-[(2,4-difluorophenoxy)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)c3COc3ccc(F)cc3F)cc2C)c1
• InChI: InChI=1S/C24H22F2N4O3/c1-14-5-4-6-17(9-14)12-30-15(2)10-22(28-30)27-24(31)23-19(16(3)33-29-23)13-32-21-8-7-18(25)11-20(21)26/h4-11H,12-13H2,1-3H3,(H,27,28,31)
• InChIKey: WBBBFLJMJXPUBP-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 82.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.46
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-[(2,4-difluorophenoxy)methyl]-5-methyl-N-[5-methyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide (CID 19484072) is 4-[(2,4-difluorophenoxy)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-[(2,4-difluorophenoxy)methyl]-5-methyl-N-[5-methyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for 4-[(2,4-difluorophenoxy)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)c3COc3ccc(F)cc3F)cc2C)c1.

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

The InChIKey is WBBBFLJMJXPUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4O3/c1-14-5-4-6-17(9-14)12-30-15(2)10-22(28-30)27-24(31)23-19(16(3)33-29-23)13-32-21-8-7-18(25)11-20(21)26/h4-11H,12-13H2,1-3H3,(H,27,28,31).

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

4-[(2,4-difluorophenoxy)methyl]-5-methyl-N-[5-methyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 452.46 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2,4-difluorophenoxy)methyl]-5-methyl-N-[5-methyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19484072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).