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

C21H19F3N6O3 — CID 126842415

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

5-(3-methylphenyl)-N-[1-[2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide (PubChem CID 126842415) has the molecular formula C21H19F3N6O3 and a molecular weight of 460.42 g/mol. Its IUPAC name is 5-(3-methylphenyl)-N-[1-[2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-(3-methylphenyl)-N-[1-[2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide
• PubChem CID: 126842415
• Molecular Formula: C21H19F3N6O3
• Molecular Weight: 460.42 g/mol
• Exact Mass: 460.15
• IUPAC Name: 5-(3-methylphenyl)-N-[1-[2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide
• SMILES: Cc1cccc(-c2ocnc2C(=O)Nc2cnn(CCOc3cc(C(F)(F)F)n(C)n3)c2)c1
• InChI: InChI=1S/C21H19F3N6O3/c1-13-4-3-5-14(8-13)19-18(25-12-33-19)20(31)27-15-10-26-30(11-15)6-7-32-17-9-16(21(22,23)24)29(2)28-17/h3-5,8-12H,6-7H2,1-2H3,(H,27,31)
• InChIKey: DFRMJNQKMLJOND-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 100.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.42
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-(3-methylphenyl)-N-[1-[2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide (CID 126842415) is 5-(3-methylphenyl)-N-[1-[2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide.

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

The canonical SMILES for 5-(3-methylphenyl)-N-[1-[2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide is Cc1cccc(-c2ocnc2C(=O)Nc2cnn(CCOc3cc(C(F)(F)F)n(C)n3)c2)c1.

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

The InChIKey is DFRMJNQKMLJOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N6O3/c1-13-4-3-5-14(8-13)19-18(25-12-33-19)20(31)27-15-10-26-30(11-15)6-7-32-17-9-16(21(22,23)24)29(2)28-17/h3-5,8-12H,6-7H2,1-2H3,(H,27,31).

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

5-(3-methylphenyl)-N-[1-[2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 460.42 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-methylphenyl)-N-[1-[2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 126842415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).