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

C21H18N4O5 — CID 42644883

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

N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 42644883) 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-methoxyphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
• PubChem CID: 42644883
• 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-methoxyphenyl)-1,3-oxazole-4-carboxamide
• SMILES: COc1cccc(-c2ocnc2C(=O)Nc2ccn(Cc3ccc(C(C)=O)o3)n2)c1
• InChI: InChI=1S/C21H18N4O5/c1-13(26)17-7-6-16(30-17)11-25-9-8-18(24-25)23-21(27)19-20(29-12-22-19)14-4-3-5-15(10-14)28-2/h3-10,12H,11H2,1-2H3,(H,23,24,27)
• InChIKey: WYIWXFKCDWGRPK-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 112.39 Ų
• H-Bond Donors: 1
• 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	3.64
H-Bond Donors ≤ 5	1
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-methoxyphenyl)-1,3-oxazole-4-carboxamide?

The IUPAC name of N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide (CID 42644883) is N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide.

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

The canonical SMILES for N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide is COc1cccc(-c2ocnc2C(=O)Nc2ccn(Cc3ccc(C(C)=O)o3)n2)c1.

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

The InChIKey is WYIWXFKCDWGRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O5/c1-13(26)17-7-6-16(30-17)11-25-9-8-18(24-25)23-21(27)19-20(29-12-22-19)14-4-3-5-15(10-14)28-2/h3-10,12H,11H2,1-2H3,(H,23,24,27).

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

N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 406.40 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 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-methoxyphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42644883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).