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

C15H19F3N4O4 — CID 136590484

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

3-[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]-N-(2-methoxyethyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 136590484) has the molecular formula C15H19F3N4O4 and a molecular weight of 376.34 g/mol. Its IUPAC name is 3-[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]-N-(2-methoxyethyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 3-[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]-N-(2-methoxyethyl)-5-methyl-1,2-oxazole-4-carboxamide
• PubChem CID: 136590484
• Molecular Formula: C15H19F3N4O4
• Molecular Weight: 376.34 g/mol
• Exact Mass: 376.14
• IUPAC Name: 3-[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]-N-(2-methoxyethyl)-5-methyl-1,2-oxazole-4-carboxamide
• SMILES: COCCNC(=O)c1c(-c2c(C)nn(C)c2OCC(F)(F)F)noc1C
• InChI: InChI=1S/C15H19F3N4O4/c1-8-10(14(22(3)20-8)25-7-15(16,17)18)12-11(9(2)26-21-12)13(23)19-5-6-24-4/h5-7H2,1-4H3,(H,19,23)
• InChIKey: CBZCUBDFUPXLQF-UHFFFAOYSA-N
• XLogP: 2.01
• TPSA: 91.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.34
LogP ≤ 5	2.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 3-[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]-N-(2-methoxyethyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 136590484) is 3-[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]-N-(2-methoxyethyl)-5-methyl-1,2-oxazole-4-carboxamide.

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

The canonical SMILES for 3-[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]-N-(2-methoxyethyl)-5-methyl-1,2-oxazole-4-carboxamide is COCCNC(=O)c1c(-c2c(C)nn(C)c2OCC(F)(F)F)noc1C.

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

The InChIKey is CBZCUBDFUPXLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O4/c1-8-10(14(22(3)20-8)25-7-15(16,17)18)12-11(9(2)26-21-12)13(23)19-5-6-24-4/h5-7H2,1-4H3,(H,19,23).

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

3-[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]-N-(2-methoxyethyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 376.34 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]-N-(2-methoxyethyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 136590484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).