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

C23H21FN4O3 — CID 19445260

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

4-[(4-fluorophenoxy)methyl]-5-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 19445260) has the molecular formula C23H21FN4O3 and a molecular weight of 420.44 g/mol. Its IUPAC name is 4-[(4-fluorophenoxy)methyl]-5-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 4-[(4-fluorophenoxy)methyl]-5-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide
• PubChem CID: 19445260
• Molecular Formula: C23H21FN4O3
• Molecular Weight: 420.44 g/mol
• Exact Mass: 420.16
• IUPAC Name: 4-[(4-fluorophenoxy)methyl]-5-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide
• SMILES: Cc1ccccc1Cn1ccc(NC(=O)c2noc(C)c2COc2ccc(F)cc2)n1
• InChI: InChI=1S/C23H21FN4O3/c1-15-5-3-4-6-17(15)13-28-12-11-21(26-28)25-23(29)22-20(16(2)31-27-22)14-30-19-9-7-18(24)8-10-19/h3-12H,13-14H2,1-2H3,(H,25,26,29)
• InChIKey: GWYGWEWUFIIZIH-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 82.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.44
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-[(4-fluorophenoxy)methyl]-5-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide (CID 19445260) is 4-[(4-fluorophenoxy)methyl]-5-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide.

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

The canonical SMILES for 4-[(4-fluorophenoxy)methyl]-5-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide is Cc1ccccc1Cn1ccc(NC(=O)c2noc(C)c2COc2ccc(F)cc2)n1.

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

The InChIKey is GWYGWEWUFIIZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O3/c1-15-5-3-4-6-17(15)13-28-12-11-21(26-28)25-23(29)22-20(16(2)31-27-22)14-30-19-9-7-18(24)8-10-19/h3-12H,13-14H2,1-2H3,(H,25,26,29).

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

4-[(4-fluorophenoxy)methyl]-5-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 420.44 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(4-fluorophenoxy)methyl]-5-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19445260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).