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

C26H26FN3O4S — CID 42840612

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

N,N-diethyl-3-[(4-fluorophenyl)methyl]-2-oxo-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide (PubChem CID 42840612) has the molecular formula C26H26FN3O4S and a molecular weight of 495.58 g/mol. Its IUPAC name is N,N-diethyl-3-[(4-fluorophenyl)methyl]-2-oxo-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide.

Molecular Properties

• Compound Name: N,N-diethyl-3-[(4-fluorophenyl)methyl]-2-oxo-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide
• PubChem CID: 42840612
• Molecular Formula: C26H26FN3O4S
• Molecular Weight: 495.58 g/mol
• Exact Mass: 495.16
• IUPAC Name: N,N-diethyl-3-[(4-fluorophenyl)methyl]-2-oxo-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide
• SMILES: CCN(CC)C(=O)C1C(c2ccc(NC(=O)c3cccs3)cc2)OC(=O)N1Cc1ccc(F)cc1
• InChI: InChI=1S/C26H26FN3O4S/c1-3-29(4-2)25(32)22-23(34-26(33)30(22)16-17-7-11-19(27)12-8-17)18-9-13-20(14-10-18)28-24(31)21-6-5-15-35-21/h5-15,22-23H,3-4,16H2,1-2H3,(H,28,31)
• InChIKey: KVWYXXNUTGSXDS-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 78.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.58
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N,N-diethyl-3-[(4-fluorophenyl)methyl]-2-oxo-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide (CID 42840612) is N,N-diethyl-3-[(4-fluorophenyl)methyl]-2-oxo-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide.

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

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

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

The InChIKey is KVWYXXNUTGSXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O4S/c1-3-29(4-2)25(32)22-23(34-26(33)30(22)16-17-7-11-19(27)12-8-17)18-9-13-20(14-10-18)28-24(31)21-6-5-15-35-21/h5-15,22-23H,3-4,16H2,1-2H3,(H,28,31).

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

N,N-diethyl-3-[(4-fluorophenyl)methyl]-2-oxo-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide has a molecular weight of 495.58 g/mol, XLogP of 5.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diethyl-3-[(4-fluorophenyl)methyl]-2-oxo-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 42840612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).