N-(4-fluoro-3-nitrophenyl)-4-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazine-1-carboxamide

C24H24FN7O6 — CID 10301822

About N-(4-fluoro-3-nitrophenyl)-4-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazine-1-carboxamide

N-(4-fluoro-3-nitrophenyl)-4-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazine-1-carboxamide (PubChem CID 10301822) has the molecular formula C24H24FN7O6 and a molecular weight of 525.50 g/mol. Its IUPAC name is N-(4-fluoro-3-nitrophenyl)-4-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazine-1-carboxamide.

Molecular Properties

• Compound Name: N-(4-fluoro-3-nitrophenyl)-4-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazine-1-carboxamide
• PubChem CID: 10301822
• Molecular Formula: C24H24FN7O6
• Molecular Weight: 525.50 g/mol
• Exact Mass: 525.18
• IUPAC Name: N-(4-fluoro-3-nitrophenyl)-4-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazine-1-carboxamide
• SMILES: Cc1nc(-c2ccc(N3CC(CN4CCN(C(=O)Nc5ccc(F)c([N+](=O)[O-])c5)CC4)OC3=O)cc2)no1
• InChI: InChI=1S/C24H24FN7O6/c1-15-26-22(28-38-15)16-2-5-18(6-3-16)31-14-19(37-24(31)34)13-29-8-10-30(11-9-29)23(33)27-17-4-7-20(25)21(12-17)32(35)36/h2-7,12,19H,8-11,13-14H2,1H3,(H,27,33)
• InChIKey: SCYBGTQFMQAOPR-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 147.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.50
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-nitrophenyl)-4-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazine-1-carboxamide?

The IUPAC name of N-(4-fluoro-3-nitrophenyl)-4-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazine-1-carboxamide (CID 10301822) is N-(4-fluoro-3-nitrophenyl)-4-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazine-1-carboxamide.

What is the SMILES notation for N-(4-fluoro-3-nitrophenyl)-4-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazine-1-carboxamide?

The canonical SMILES for N-(4-fluoro-3-nitrophenyl)-4-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazine-1-carboxamide is Cc1nc(-c2ccc(N3CC(CN4CCN(C(=O)Nc5ccc(F)c([N+](=O)[O-])c5)CC4)OC3=O)cc2)no1.

What is the InChIKey of N-(4-fluoro-3-nitrophenyl)-4-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazine-1-carboxamide?

The InChIKey is SCYBGTQFMQAOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN7O6/c1-15-26-22(28-38-15)16-2-5-18(6-3-16)31-14-19(37-24(31)34)13-29-8-10-30(11-9-29)23(33)27-17-4-7-20(25)21(12-17)32(35)36/h2-7,12,19H,8-11,13-14H2,1H3,(H,27,33).

What are the key properties of N-(4-fluoro-3-nitrophenyl)-4-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazine-1-carboxamide?

N-(4-fluoro-3-nitrophenyl)-4-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazine-1-carboxamide has a molecular weight of 525.50 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-fluoro-3-nitrophenyl)-4-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 10301822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).