3-fluoro-N-(furan-2-ylmethyl)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide

C23H19FN2O4 — CID 42822310

About 3-fluoro-N-(furan-2-ylmethyl)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide

3-fluoro-N-(furan-2-ylmethyl)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide (PubChem CID 42822310) has the molecular formula C23H19FN2O4 and a molecular weight of 406.41 g/mol. Its IUPAC name is 3-fluoro-N-(furan-2-ylmethyl)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide.

Molecular Properties

• Compound Name: 3-fluoro-N-(furan-2-ylmethyl)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
• PubChem CID: 42822310
• Molecular Formula: C23H19FN2O4
• Molecular Weight: 406.41 g/mol
• Exact Mass: 406.13
• IUPAC Name: 3-fluoro-N-(furan-2-ylmethyl)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
• SMILES: COc1ccc(-c2cc(CN(Cc3ccco3)C(=O)c3cccc(F)c3)no2)cc1
• InChI: InChI=1S/C23H19FN2O4/c1-28-20-9-7-16(8-10-20)22-13-19(25-30-22)14-26(15-21-6-3-11-29-21)23(27)17-4-2-5-18(24)12-17/h2-13H,14-15H2,1H3
• InChIKey: ISHNSUMUOZQCAP-UHFFFAOYSA-N
• XLogP: 4.92
• TPSA: 68.71 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.41
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(furan-2-ylmethyl)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide?

The IUPAC name of 3-fluoro-N-(furan-2-ylmethyl)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide (CID 42822310) is 3-fluoro-N-(furan-2-ylmethyl)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide.

What is the SMILES notation for 3-fluoro-N-(furan-2-ylmethyl)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide?

The canonical SMILES for 3-fluoro-N-(furan-2-ylmethyl)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide is COc1ccc(-c2cc(CN(Cc3ccco3)C(=O)c3cccc(F)c3)no2)cc1.

What is the InChIKey of 3-fluoro-N-(furan-2-ylmethyl)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide?

The InChIKey is ISHNSUMUOZQCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O4/c1-28-20-9-7-16(8-10-20)22-13-19(25-30-22)14-26(15-21-6-3-11-29-21)23(27)17-4-2-5-18(24)12-17/h2-13H,14-15H2,1H3.

What are the key properties of 3-fluoro-N-(furan-2-ylmethyl)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide?

3-fluoro-N-(furan-2-ylmethyl)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide has a molecular weight of 406.41 g/mol, XLogP of 4.92, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-N-(furan-2-ylmethyl)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide is sourced from PubChem (CID 42822310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).