N-[[(5S)-3-[4-[4-[(5-chlorofuran-2-yl)methyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C21H24ClFN4O4 — CID 10114868

About N-[[(5S)-3-[4-[4-[(5-chlorofuran-2-yl)methyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[4-[4-[(5-chlorofuran-2-yl)methyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 10114868) has the molecular formula C21H24ClFN4O4 and a molecular weight of 450.90 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[4-[(5-chlorofuran-2-yl)methyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[(5S)-3-[4-[4-[(5-chlorofuran-2-yl)methyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 10114868
• Molecular Formula: C21H24ClFN4O4
• Molecular Weight: 450.90 g/mol
• Exact Mass: 450.15
• IUPAC Name: N-[[(5S)-3-[4-[4-[(5-chlorofuran-2-yl)methyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CC(=O)NC[C@H]1CN(c2ccc(N3CCN(Cc4ccc(Cl)o4)CC3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C21H24ClFN4O4/c1-14(28)24-11-17-13-27(21(29)31-17)15-2-4-19(18(23)10-15)26-8-6-25(7-9-26)12-16-3-5-20(22)30-16/h2-5,10,17H,6-9,11-13H2,1H3,(H,24,28)/t17-/m0/s1
• InChIKey: QBWBDYSDJKQZER-KRWDZBQOSA-N
• XLogP: 2.86
• TPSA: 78.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.90
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-[4-[(5-chlorofuran-2-yl)methyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The IUPAC name of N-[[(5S)-3-[4-[4-[(5-chlorofuran-2-yl)methyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 10114868) is N-[[(5S)-3-[4-[4-[(5-chlorofuran-2-yl)methyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

What is the SMILES notation for N-[[(5S)-3-[4-[4-[(5-chlorofuran-2-yl)methyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The canonical SMILES for N-[[(5S)-3-[4-[4-[(5-chlorofuran-2-yl)methyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(N3CCN(Cc4ccc(Cl)o4)CC3)c(F)c2)C(=O)O1.

What is the InChIKey of N-[[(5S)-3-[4-[4-[(5-chlorofuran-2-yl)methyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The InChIKey is QBWBDYSDJKQZER-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H24ClFN4O4/c1-14(28)24-11-17-13-27(21(29)31-17)15-2-4-19(18(23)10-15)26-8-6-25(7-9-26)12-16-3-5-20(22)30-16/h2-5,10,17H,6-9,11-13H2,1H3,(H,24,28)/t17-/m0/s1.

What are the key properties of N-[[(5S)-3-[4-[4-[(5-chlorofuran-2-yl)methyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

N-[[(5S)-3-[4-[4-[(5-chlorofuran-2-yl)methyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 450.90 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-[4-[4-[(5-chlorofuran-2-yl)methyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 10114868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).