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

C21H15F3N4O4 — CID 66928560

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

N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 66928560) has the molecular formula C21H15F3N4O4 and a molecular weight of 444.37 g/mol. Its IUPAC name is N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
• PubChem CID: 66928560
• Molecular Formula: C21H15F3N4O4
• Molecular Weight: 444.37 g/mol
• Exact Mass: 444.10
• IUPAC Name: N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
• SMILES: CC(=O)c1ccc(Cn2ccc(NC(=O)c3ncoc3-c3ccc(C(F)(F)F)cc3)n2)o1
• InChI: InChI=1S/C21H15F3N4O4/c1-12(29)16-7-6-15(32-16)10-28-9-8-17(27-28)26-20(30)18-19(31-11-25-18)13-2-4-14(5-3-13)21(22,23)24/h2-9,11H,10H2,1H3,(H,26,27,30)
• InChIKey: BCRZZYXQWQPIDL-UHFFFAOYSA-N
• XLogP: 4.65
• TPSA: 103.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.37
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide (CID 66928560) is N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide.

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

The canonical SMILES for N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide is CC(=O)c1ccc(Cn2ccc(NC(=O)c3ncoc3-c3ccc(C(F)(F)F)cc3)n2)o1.

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

The InChIKey is BCRZZYXQWQPIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O4/c1-12(29)16-7-6-15(32-16)10-28-9-8-17(27-28)26-20(30)18-19(31-11-25-18)13-2-4-14(5-3-13)21(22,23)24/h2-9,11H,10H2,1H3,(H,26,27,30).

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

N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 444.37 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 66928560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).