3-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)-2-oxo-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide

C26H26FN3O4S — CID 46020909

About 3-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)-2-oxo-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide

3-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)-2-oxo-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide (PubChem CID 46020909) has the molecular formula C26H26FN3O4S and a molecular weight of 495.58 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)-2-oxo-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide.

Molecular Properties

• Compound Name: 3-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)-2-oxo-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide
• PubChem CID: 46020909
• Molecular Formula: C26H26FN3O4S
• Molecular Weight: 495.58 g/mol
• Exact Mass: 495.16
• IUPAC Name: 3-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)-2-oxo-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide
• SMILES: CC(C)CNC(=O)C1C(c2ccc(NC(=O)c3cccs3)cc2)OC(=O)N1Cc1ccc(F)cc1
• InChI: InChI=1S/C26H26FN3O4S/c1-16(2)14-28-25(32)22-23(34-26(33)30(22)15-17-5-9-19(27)10-6-17)18-7-11-20(12-8-18)29-24(31)21-4-3-13-35-21/h3-13,16,22-23H,14-15H2,1-2H3,(H,28,32)(H,29,31)
• InChIKey: ASGUQGHSNRCXKY-UHFFFAOYSA-N
• XLogP: 4.97
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.58
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)-2-oxo-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide (CID 46020909) is 3-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)-2-oxo-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide.

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

The canonical SMILES for 3-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)-2-oxo-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide is CC(C)CNC(=O)C1C(c2ccc(NC(=O)c3cccs3)cc2)OC(=O)N1Cc1ccc(F)cc1.

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

The InChIKey is ASGUQGHSNRCXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O4S/c1-16(2)14-28-25(32)22-23(34-26(33)30(22)15-17-5-9-19(27)10-6-17)18-7-11-20(12-8-18)29-24(31)21-4-3-13-35-21/h3-13,16,22-23H,14-15H2,1-2H3,(H,28,32)(H,29,31).

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

3-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)-2-oxo-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide has a molecular weight of 495.58 g/mol, XLogP of 4.97, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)-2-oxo-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 46020909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).