N-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide

C26H27N3O5 — CID 42841177

About N-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide

N-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide (PubChem CID 42841177) has the molecular formula C26H27N3O5 and a molecular weight of 461.52 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide.

Molecular Properties

• Compound Name: N-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide
• PubChem CID: 42841177
• Molecular Formula: C26H27N3O5
• Molecular Weight: 461.52 g/mol
• Exact Mass: 461.20
• IUPAC Name: N-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide
• SMILES: CCC(=O)Nc1cccc(C2OC(=O)N(Cc3ccc(C)cc3)C2C(=O)NCc2ccco2)c1
• InChI: InChI=1S/C26H27N3O5/c1-3-22(30)28-20-7-4-6-19(14-20)24-23(25(31)27-15-21-8-5-13-33-21)29(26(32)34-24)16-18-11-9-17(2)10-12-18/h4-14,23-24H,3,15-16H2,1-2H3,(H,27,31)(H,28,30)
• InChIKey: SLTMKYCPFFHQAG-UHFFFAOYSA-N
• XLogP: 4.32
• 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	4.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide (CID 42841177) is N-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide.

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

The canonical SMILES for N-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide is CCC(=O)Nc1cccc(C2OC(=O)N(Cc3ccc(C)cc3)C2C(=O)NCc2ccco2)c1.

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

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

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

N-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide has a molecular weight of 461.52 g/mol, XLogP of 4.32, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 42841177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).