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

C19H20F2N4O3 — CID 19484044

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

4-[(2,4-difluorophenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 19484044) has the molecular formula C19H20F2N4O3 and a molecular weight of 390.39 g/mol. Its IUPAC name is 4-[(2,4-difluorophenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 4-[(2,4-difluorophenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
• PubChem CID: 19484044
• Molecular Formula: C19H20F2N4O3
• Molecular Weight: 390.39 g/mol
• Exact Mass: 390.15
• IUPAC Name: 4-[(2,4-difluorophenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
• SMILES: CCn1nccc1C(C)NC(=O)c1noc(C)c1COc1ccc(F)cc1F
• InChI: InChI=1S/C19H20F2N4O3/c1-4-25-16(7-8-22-25)11(2)23-19(26)18-14(12(3)28-24-18)10-27-17-6-5-13(20)9-15(17)21/h5-9,11H,4,10H2,1-3H3,(H,23,26)
• InChIKey: OXHXVGXOSWBVGQ-UHFFFAOYSA-N
• XLogP: 3.55
• TPSA: 82.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.39
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-[(2,4-difluorophenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 19484044) is 4-[(2,4-difluorophenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 4-[(2,4-difluorophenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide?

The canonical SMILES for 4-[(2,4-difluorophenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide is CCn1nccc1C(C)NC(=O)c1noc(C)c1COc1ccc(F)cc1F.

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

The InChIKey is OXHXVGXOSWBVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4O3/c1-4-25-16(7-8-22-25)11(2)23-19(26)18-14(12(3)28-24-18)10-27-17-6-5-13(20)9-15(17)21/h5-9,11H,4,10H2,1-3H3,(H,23,26).

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

4-[(2,4-difluorophenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 390.39 g/mol, XLogP of 3.55, 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]-N-[1-(2-ethylpyrazol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19484044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).