(4R,5S)-3-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-oxo-5-[4-(pyridine-3-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide

C26H25FN4O5 — CID 93203424

About (4R,5S)-3-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-oxo-5-[4-(pyridine-3-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide

(4R,5S)-3-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-oxo-5-[4-(pyridine-3-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide (PubChem CID 93203424) has the molecular formula C26H25FN4O5 and a molecular weight of 492.51 g/mol. Its IUPAC name is (4R,5S)-3-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-oxo-5-[4-(pyridine-3-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide.

Molecular Properties

• Compound Name: (4R,5S)-3-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-oxo-5-[4-(pyridine-3-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide
• PubChem CID: 93203424
• Molecular Formula: C26H25FN4O5
• Molecular Weight: 492.51 g/mol
• Exact Mass: 492.18
• IUPAC Name: (4R,5S)-3-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-oxo-5-[4-(pyridine-3-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide
• SMILES: COCCNC(=O)[C@H]1[C@H](c2ccc(NC(=O)c3cccnc3)cc2)OC(=O)N1Cc1cccc(F)c1
• InChI: InChI=1S/C26H25FN4O5/c1-35-13-12-29-25(33)22-23(36-26(34)31(22)16-17-4-2-6-20(27)14-17)18-7-9-21(10-8-18)30-24(32)19-5-3-11-28-15-19/h2-11,14-15,22-23H,12-13,16H2,1H3,(H,29,33)(H,30,32)/t22-,23+/m1/s1
• InChIKey: XAZYVIOWHUMZCJ-PKTZIBPZSA-N
• XLogP: 3.30
• TPSA: 109.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.51
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-3-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-oxo-5-[4-(pyridine-3-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide?

The IUPAC name of (4R,5S)-3-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-oxo-5-[4-(pyridine-3-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide (CID 93203424) is (4R,5S)-3-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-oxo-5-[4-(pyridine-3-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide.

What is the SMILES notation for (4R,5S)-3-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-oxo-5-[4-(pyridine-3-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide?

The canonical SMILES for (4R,5S)-3-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-oxo-5-[4-(pyridine-3-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide is COCCNC(=O)[C@H]1[C@H](c2ccc(NC(=O)c3cccnc3)cc2)OC(=O)N1Cc1cccc(F)c1.

What is the InChIKey of (4R,5S)-3-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-oxo-5-[4-(pyridine-3-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide?

The InChIKey is XAZYVIOWHUMZCJ-PKTZIBPZSA-N. The full InChI is InChI=1S/C26H25FN4O5/c1-35-13-12-29-25(33)22-23(36-26(34)31(22)16-17-4-2-6-20(27)14-17)18-7-9-21(10-8-18)30-24(32)19-5-3-11-28-15-19/h2-11,14-15,22-23H,12-13,16H2,1H3,(H,29,33)(H,30,32)/t22-,23+/m1/s1.

What are the key properties of (4R,5S)-3-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-oxo-5-[4-(pyridine-3-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide?

(4R,5S)-3-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-oxo-5-[4-(pyridine-3-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide has a molecular weight of 492.51 g/mol, XLogP of 3.30, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,5S)-3-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-oxo-5-[4-(pyridine-3-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 93203424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).