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

C29H26N4O5 — CID 46021127

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

N-(furan-2-ylmethyl)-3-[(3-methylphenyl)methyl]-2-oxo-5-[4-(pyridine-3-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide (PubChem CID 46021127) has the molecular formula C29H26N4O5 and a molecular weight of 510.55 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-[(3-methylphenyl)methyl]-2-oxo-5-[4-(pyridine-3-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide.

Molecular Properties

• Compound Name: N-(furan-2-ylmethyl)-3-[(3-methylphenyl)methyl]-2-oxo-5-[4-(pyridine-3-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide
• PubChem CID: 46021127
• Molecular Formula: C29H26N4O5
• Molecular Weight: 510.55 g/mol
• Exact Mass: 510.19
• IUPAC Name: N-(furan-2-ylmethyl)-3-[(3-methylphenyl)methyl]-2-oxo-5-[4-(pyridine-3-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide
• SMILES: Cc1cccc(CN2C(=O)OC(c3ccc(NC(=O)c4cccnc4)cc3)C2C(=O)NCc2ccco2)c1
• InChI: InChI=1S/C29H26N4O5/c1-19-5-2-6-20(15-19)18-33-25(28(35)31-17-24-8-4-14-37-24)26(38-29(33)36)21-9-11-23(12-10-21)32-27(34)22-7-3-13-30-16-22/h2-16,25-26H,17-18H2,1H3,(H,31,35)(H,32,34)
• InChIKey: QUNWJWHXIMGHPD-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 113.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.55
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-(furan-2-ylmethyl)-3-[(3-methylphenyl)methyl]-2-oxo-5-[4-(pyridine-3-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide (CID 46021127) is N-(furan-2-ylmethyl)-3-[(3-methylphenyl)methyl]-2-oxo-5-[4-(pyridine-3-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide.

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

The canonical SMILES for N-(furan-2-ylmethyl)-3-[(3-methylphenyl)methyl]-2-oxo-5-[4-(pyridine-3-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide is Cc1cccc(CN2C(=O)OC(c3ccc(NC(=O)c4cccnc4)cc3)C2C(=O)NCc2ccco2)c1.

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

The InChIKey is QUNWJWHXIMGHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O5/c1-19-5-2-6-20(15-19)18-33-25(28(35)31-17-24-8-4-14-37-24)26(38-29(33)36)21-9-11-23(12-10-21)32-27(34)22-7-3-13-30-16-22/h2-16,25-26H,17-18H2,1H3,(H,31,35)(H,32,34).

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

N-(furan-2-ylmethyl)-3-[(3-methylphenyl)methyl]-2-oxo-5-[4-(pyridine-3-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide has a molecular weight of 510.55 g/mol, XLogP of 4.61, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(furan-2-ylmethyl)-3-[(3-methylphenyl)methyl]-2-oxo-5-[4-(pyridine-3-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 46021127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).