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

C31H29N3O5 — CID 46021021

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

N-benzyl-5-[4-(furan-2-carbonylamino)phenyl]-N-methyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 46021021) has the molecular formula C31H29N3O5 and a molecular weight of 523.59 g/mol. Its IUPAC name is N-benzyl-5-[4-(furan-2-carbonylamino)phenyl]-N-methyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

• Compound Name: N-benzyl-5-[4-(furan-2-carbonylamino)phenyl]-N-methyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
• PubChem CID: 46021021
• Molecular Formula: C31H29N3O5
• Molecular Weight: 523.59 g/mol
• Exact Mass: 523.21
• IUPAC Name: N-benzyl-5-[4-(furan-2-carbonylamino)phenyl]-N-methyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
• SMILES: Cc1ccc(CN2C(=O)OC(c3ccc(NC(=O)c4ccco4)cc3)C2C(=O)N(C)Cc2ccccc2)cc1
• InChI: InChI=1S/C31H29N3O5/c1-21-10-12-23(13-11-21)20-34-27(30(36)33(2)19-22-7-4-3-5-8-22)28(39-31(34)37)24-14-16-25(17-15-24)32-29(35)26-9-6-18-38-26/h3-18,27-28H,19-20H2,1-2H3,(H,32,35)
• InChIKey: MBDBEKANBGXZRR-UHFFFAOYSA-N
• XLogP: 5.56
• TPSA: 92.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.59
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-benzyl-5-[4-(furan-2-carbonylamino)phenyl]-N-methyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide (CID 46021021) is N-benzyl-5-[4-(furan-2-carbonylamino)phenyl]-N-methyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide.

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

The canonical SMILES for N-benzyl-5-[4-(furan-2-carbonylamino)phenyl]-N-methyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide is Cc1ccc(CN2C(=O)OC(c3ccc(NC(=O)c4ccco4)cc3)C2C(=O)N(C)Cc2ccccc2)cc1.

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

The InChIKey is MBDBEKANBGXZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N3O5/c1-21-10-12-23(13-11-21)20-34-27(30(36)33(2)19-22-7-4-3-5-8-22)28(39-31(34)37)24-14-16-25(17-15-24)32-29(35)26-9-6-18-38-26/h3-18,27-28H,19-20H2,1-2H3,(H,32,35).

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

N-benzyl-5-[4-(furan-2-carbonylamino)phenyl]-N-methyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 523.59 g/mol, XLogP of 5.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-5-[4-(furan-2-carbonylamino)phenyl]-N-methyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 46021021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).