3-[(3-fluorophenyl)methyl]-5-[4-(furan-2-carbonylamino)phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide

C26H26FN3O5 — CID 42841392

About 3-[(3-fluorophenyl)methyl]-5-[4-(furan-2-carbonylamino)phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide

3-[(3-fluorophenyl)methyl]-5-[4-(furan-2-carbonylamino)phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 42841392) has the molecular formula C26H26FN3O5 and a molecular weight of 479.51 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methyl]-5-[4-(furan-2-carbonylamino)phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

• Compound Name: 3-[(3-fluorophenyl)methyl]-5-[4-(furan-2-carbonylamino)phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide
• PubChem CID: 42841392
• Molecular Formula: C26H26FN3O5
• Molecular Weight: 479.51 g/mol
• Exact Mass: 479.19
• IUPAC Name: 3-[(3-fluorophenyl)methyl]-5-[4-(furan-2-carbonylamino)phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide
• SMILES: CC(C)CNC(=O)C1C(c2ccc(NC(=O)c3ccco3)cc2)OC(=O)N1Cc1cccc(F)c1
• InChI: InChI=1S/C26H26FN3O5/c1-16(2)14-28-25(32)22-23(35-26(33)30(22)15-17-5-3-6-19(27)13-17)18-8-10-20(11-9-18)29-24(31)21-7-4-12-34-21/h3-13,16,22-23H,14-15H2,1-2H3,(H,28,32)(H,29,31)
• InChIKey: CKJAFBYVWOFJSG-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 100.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.51
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methyl]-5-[4-(furan-2-carbonylamino)phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide?

The IUPAC name of 3-[(3-fluorophenyl)methyl]-5-[4-(furan-2-carbonylamino)phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide (CID 42841392) is 3-[(3-fluorophenyl)methyl]-5-[4-(furan-2-carbonylamino)phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide.

What is the SMILES notation for 3-[(3-fluorophenyl)methyl]-5-[4-(furan-2-carbonylamino)phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide?

The canonical SMILES for 3-[(3-fluorophenyl)methyl]-5-[4-(furan-2-carbonylamino)phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide is CC(C)CNC(=O)C1C(c2ccc(NC(=O)c3ccco3)cc2)OC(=O)N1Cc1cccc(F)c1.

What is the InChIKey of 3-[(3-fluorophenyl)methyl]-5-[4-(furan-2-carbonylamino)phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide?

The InChIKey is CKJAFBYVWOFJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O5/c1-16(2)14-28-25(32)22-23(35-26(33)30(22)15-17-5-3-6-19(27)13-17)18-8-10-20(11-9-18)29-24(31)21-7-4-12-34-21/h3-13,16,22-23H,14-15H2,1-2H3,(H,28,32)(H,29,31).

What are the key properties of 3-[(3-fluorophenyl)methyl]-5-[4-(furan-2-carbonylamino)phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide?

3-[(3-fluorophenyl)methyl]-5-[4-(furan-2-carbonylamino)phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 479.51 g/mol, XLogP of 4.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3-fluorophenyl)methyl]-5-[4-(furan-2-carbonylamino)phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 42841392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).