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

C26H25FN4O4 — CID 42841448

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

3-[(3-fluorophenyl)methyl]-2-oxo-N-propan-2-yl-5-[4-(pyridine-3-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide (PubChem CID 42841448) has the molecular formula C26H25FN4O4 and a molecular weight of 476.51 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methyl]-2-oxo-N-propan-2-yl-5-[4-(pyridine-3-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide.

Molecular Properties

• Compound Name: 3-[(3-fluorophenyl)methyl]-2-oxo-N-propan-2-yl-5-[4-(pyridine-3-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide
• PubChem CID: 42841448
• Molecular Formula: C26H25FN4O4
• Molecular Weight: 476.51 g/mol
• Exact Mass: 476.19
• IUPAC Name: 3-[(3-fluorophenyl)methyl]-2-oxo-N-propan-2-yl-5-[4-(pyridine-3-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide
• SMILES: CC(C)NC(=O)C1C(c2ccc(NC(=O)c3cccnc3)cc2)OC(=O)N1Cc1cccc(F)c1
• InChI: InChI=1S/C26H25FN4O4/c1-16(2)29-25(33)22-23(35-26(34)31(22)15-17-5-3-7-20(27)13-17)18-8-10-21(11-9-18)30-24(32)19-6-4-12-28-14-19/h3-14,16,22-23H,15H2,1-2H3,(H,29,33)(H,30,32)
• InChIKey: LQYPFGPUCZRDCV-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 100.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.51
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-[(3-fluorophenyl)methyl]-2-oxo-N-propan-2-yl-5-[4-(pyridine-3-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide (CID 42841448) is 3-[(3-fluorophenyl)methyl]-2-oxo-N-propan-2-yl-5-[4-(pyridine-3-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide.

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

The canonical SMILES for 3-[(3-fluorophenyl)methyl]-2-oxo-N-propan-2-yl-5-[4-(pyridine-3-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide is CC(C)NC(=O)C1C(c2ccc(NC(=O)c3cccnc3)cc2)OC(=O)N1Cc1cccc(F)c1.

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

The InChIKey is LQYPFGPUCZRDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O4/c1-16(2)29-25(33)22-23(35-26(34)31(22)15-17-5-3-7-20(27)13-17)18-8-10-21(11-9-18)30-24(32)19-6-4-12-28-14-19/h3-14,16,22-23H,15H2,1-2H3,(H,29,33)(H,30,32).

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

3-[(3-fluorophenyl)methyl]-2-oxo-N-propan-2-yl-5-[4-(pyridine-3-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide has a molecular weight of 476.51 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3-fluorophenyl)methyl]-2-oxo-N-propan-2-yl-5-[4-(pyridine-3-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 42841448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).