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

C21H18N4O5 — CID 66929181

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

N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]-5-[3-(hydroxymethyl)phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 66929181) has the molecular formula C21H18N4O5 and a molecular weight of 406.40 g/mol. Its IUPAC name is N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]-5-[3-(hydroxymethyl)phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]-5-[3-(hydroxymethyl)phenyl]-1,3-oxazole-4-carboxamide
• PubChem CID: 66929181
• Molecular Formula: C21H18N4O5
• Molecular Weight: 406.40 g/mol
• Exact Mass: 406.13
• IUPAC Name: N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]-5-[3-(hydroxymethyl)phenyl]-1,3-oxazole-4-carboxamide
• SMILES: CC(=O)c1ccc(Cn2ccc(NC(=O)c3ncoc3-c3cccc(CO)c3)n2)o1
• InChI: InChI=1S/C21H18N4O5/c1-13(27)17-6-5-16(30-17)10-25-8-7-18(24-25)23-21(28)19-20(29-12-22-19)15-4-2-3-14(9-15)11-26/h2-9,12,26H,10-11H2,1H3,(H,23,24,28)
• InChIKey: AABQERVNAIHJCQ-UHFFFAOYSA-N
• XLogP: 3.13
• TPSA: 123.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.40
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]-5-[3-(hydroxymethyl)phenyl]-1,3-oxazole-4-carboxamide (CID 66929181) is N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]-5-[3-(hydroxymethyl)phenyl]-1,3-oxazole-4-carboxamide.

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

The canonical SMILES for N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]-5-[3-(hydroxymethyl)phenyl]-1,3-oxazole-4-carboxamide is CC(=O)c1ccc(Cn2ccc(NC(=O)c3ncoc3-c3cccc(CO)c3)n2)o1.

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

The InChIKey is AABQERVNAIHJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O5/c1-13(27)17-6-5-16(30-17)10-25-8-7-18(24-25)23-21(28)19-20(29-12-22-19)15-4-2-3-14(9-15)11-26/h2-9,12,26H,10-11H2,1H3,(H,23,24,28).

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

N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]-5-[3-(hydroxymethyl)phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 406.40 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]-5-[3-(hydroxymethyl)phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 66929181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).