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

C26H27N3O5 — CID 46020953

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

3-benzyl-N-butan-2-yl-5-[4-(furan-2-carbonylamino)phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 46020953) has the molecular formula C26H27N3O5 and a molecular weight of 461.52 g/mol. Its IUPAC name is 3-benzyl-N-butan-2-yl-5-[4-(furan-2-carbonylamino)phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

• Compound Name: 3-benzyl-N-butan-2-yl-5-[4-(furan-2-carbonylamino)phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
• PubChem CID: 46020953
• Molecular Formula: C26H27N3O5
• Molecular Weight: 461.52 g/mol
• Exact Mass: 461.20
• IUPAC Name: 3-benzyl-N-butan-2-yl-5-[4-(furan-2-carbonylamino)phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
• SMILES: CCC(C)NC(=O)C1C(c2ccc(NC(=O)c3ccco3)cc2)OC(=O)N1Cc1ccccc1
• InChI: InChI=1S/C26H27N3O5/c1-3-17(2)27-25(31)22-23(34-26(32)29(22)16-18-8-5-4-6-9-18)19-11-13-20(14-12-19)28-24(30)21-10-7-15-33-21/h4-15,17,22-23H,3,16H2,1-2H3,(H,27,31)(H,28,30)
• InChIKey: JEWCREYCNWTJNZ-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 100.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.52
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-benzyl-N-butan-2-yl-5-[4-(furan-2-carbonylamino)phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide (CID 46020953) is 3-benzyl-N-butan-2-yl-5-[4-(furan-2-carbonylamino)phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide.

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

The canonical SMILES for 3-benzyl-N-butan-2-yl-5-[4-(furan-2-carbonylamino)phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide is CCC(C)NC(=O)C1C(c2ccc(NC(=O)c3ccco3)cc2)OC(=O)N1Cc1ccccc1.

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

The InChIKey is JEWCREYCNWTJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O5/c1-3-17(2)27-25(31)22-23(34-26(32)29(22)16-18-8-5-4-6-9-18)19-11-13-20(14-12-19)28-24(30)21-10-7-15-33-21/h4-15,17,22-23H,3,16H2,1-2H3,(H,27,31)(H,28,30).

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

3-benzyl-N-butan-2-yl-5-[4-(furan-2-carbonylamino)phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 461.52 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-benzyl-N-butan-2-yl-5-[4-(furan-2-carbonylamino)phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 46020953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).