N-[[(5S)-3-[3-fluoro-4-[3-methyl-4-[methyl-[2-(5-nitrofuran-2-yl)-2-oxoethyl]amino]piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C25H30FN5O7 — CID 10302045

About N-[[(5S)-3-[3-fluoro-4-[3-methyl-4-[methyl-[2-(5-nitrofuran-2-yl)-2-oxoethyl]amino]piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[3-fluoro-4-[3-methyl-4-[methyl-[2-(5-nitrofuran-2-yl)-2-oxoethyl]amino]piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 10302045) has the molecular formula C25H30FN5O7 and a molecular weight of 531.54 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[3-methyl-4-[methyl-[2-(5-nitrofuran-2-yl)-2-oxoethyl]amino]piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[(5S)-3-[3-fluoro-4-[3-methyl-4-[methyl-[2-(5-nitrofuran-2-yl)-2-oxoethyl]amino]piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 10302045
• Molecular Formula: C25H30FN5O7
• Molecular Weight: 531.54 g/mol
• Exact Mass: 531.21
• IUPAC Name: N-[[(5S)-3-[3-fluoro-4-[3-methyl-4-[methyl-[2-(5-nitrofuran-2-yl)-2-oxoethyl]amino]piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CC(=O)NC[C@H]1CN(c2ccc(N3CCC(N(C)CC(=O)c4ccc([N+](=O)[O-])o4)C(C)C3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C25H30FN5O7/c1-15-12-29(9-8-20(15)28(3)14-22(33)23-6-7-24(38-23)31(35)36)21-5-4-17(10-19(21)26)30-13-18(37-25(30)34)11-27-16(2)32/h4-7,10,15,18,20H,8-9,11-14H2,1-3H3,(H,27,32)/t15?,18-,20?/m0/s1
• InChIKey: WUNLWEVRAIDAOR-VDUSKEEQSA-N
• XLogP: 2.82
• TPSA: 138.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.54
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'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-[[(5S)-3-[3-fluoro-4-[3-methyl-4-[methyl-[2-(5-nitrofuran-2-yl)-2-oxoethyl]amino]piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[3-methyl-4-[methyl-[2-(5-nitrofuran-2-yl)-2-oxoethyl]amino]piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 10302045) is N-[[(5S)-3-[3-fluoro-4-[3-methyl-4-[methyl-[2-(5-nitrofuran-2-yl)-2-oxoethyl]amino]piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-[3-methyl-4-[methyl-[2-(5-nitrofuran-2-yl)-2-oxoethyl]amino]piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[3-methyl-4-[methyl-[2-(5-nitrofuran-2-yl)-2-oxoethyl]amino]piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(N3CCC(N(C)CC(=O)c4ccc([N+](=O)[O-])o4)C(C)C3)c(F)c2)C(=O)O1.

What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[3-methyl-4-[methyl-[2-(5-nitrofuran-2-yl)-2-oxoethyl]amino]piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The InChIKey is WUNLWEVRAIDAOR-VDUSKEEQSA-N. The full InChI is InChI=1S/C25H30FN5O7/c1-15-12-29(9-8-20(15)28(3)14-22(33)23-6-7-24(38-23)31(35)36)21-5-4-17(10-19(21)26)30-13-18(37-25(30)34)11-27-16(2)32/h4-7,10,15,18,20H,8-9,11-14H2,1-3H3,(H,27,32)/t15?,18-,20?/m0/s1.

What are the key properties of N-[[(5S)-3-[3-fluoro-4-[3-methyl-4-[methyl-[2-(5-nitrofuran-2-yl)-2-oxoethyl]amino]piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

N-[[(5S)-3-[3-fluoro-4-[3-methyl-4-[methyl-[2-(5-nitrofuran-2-yl)-2-oxoethyl]amino]piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 531.54 g/mol, XLogP of 2.82, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-[3-fluoro-4-[3-methyl-4-[methyl-[2-(5-nitrofuran-2-yl)-2-oxoethyl]amino]piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 10302045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).