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

C28H22FN3O5 — CID 42841008

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

3-benzyl-N-(4-fluorophenyl)-5-[3-(furan-2-carbonylamino)phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 42841008) has the molecular formula C28H22FN3O5 and a molecular weight of 499.50 g/mol. Its IUPAC name is 3-benzyl-N-(4-fluorophenyl)-5-[3-(furan-2-carbonylamino)phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

• Compound Name: 3-benzyl-N-(4-fluorophenyl)-5-[3-(furan-2-carbonylamino)phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
• PubChem CID: 42841008
• Molecular Formula: C28H22FN3O5
• Molecular Weight: 499.50 g/mol
• Exact Mass: 499.15
• IUPAC Name: 3-benzyl-N-(4-fluorophenyl)-5-[3-(furan-2-carbonylamino)phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
• SMILES: O=C(Nc1cccc(C2OC(=O)N(Cc3ccccc3)C2C(=O)Nc2ccc(F)cc2)c1)c1ccco1
• InChI: InChI=1S/C28H22FN3O5/c29-20-11-13-21(14-12-20)30-27(34)24-25(37-28(35)32(24)17-18-6-2-1-3-7-18)19-8-4-9-22(16-19)31-26(33)23-10-5-15-36-23/h1-16,24-25H,17H2,(H,30,34)(H,31,33)
• InChIKey: RVMAPCQSJFTLTC-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 100.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.50
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-benzyl-N-(4-fluorophenyl)-5-[3-(furan-2-carbonylamino)phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide (CID 42841008) is 3-benzyl-N-(4-fluorophenyl)-5-[3-(furan-2-carbonylamino)phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide.

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

The canonical SMILES for 3-benzyl-N-(4-fluorophenyl)-5-[3-(furan-2-carbonylamino)phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide is O=C(Nc1cccc(C2OC(=O)N(Cc3ccccc3)C2C(=O)Nc2ccc(F)cc2)c1)c1ccco1.

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

The InChIKey is RVMAPCQSJFTLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22FN3O5/c29-20-11-13-21(14-12-20)30-27(34)24-25(37-28(35)32(24)17-18-6-2-1-3-7-18)19-8-4-9-22(16-19)31-26(33)23-10-5-15-36-23/h1-16,24-25H,17H2,(H,30,34)(H,31,33).

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

3-benzyl-N-(4-fluorophenyl)-5-[3-(furan-2-carbonylamino)phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 499.50 g/mol, XLogP of 5.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-benzyl-N-(4-fluorophenyl)-5-[3-(furan-2-carbonylamino)phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 42841008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).