N-[[(5S)-3-[4-[4-(3-cyclopenta-1,3-dien-1-ylpropyl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C26H27FN2O3 — CID 58045453

About N-[[(5S)-3-[4-[4-(3-cyclopenta-1,3-dien-1-ylpropyl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[4-[4-(3-cyclopenta-1,3-dien-1-ylpropyl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 58045453) has the molecular formula C26H27FN2O3 and a molecular weight of 434.51 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[4-(3-cyclopenta-1,3-dien-1-ylpropyl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[(5S)-3-[4-[4-(3-cyclopenta-1,3-dien-1-ylpropyl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 58045453
• Molecular Formula: C26H27FN2O3
• Molecular Weight: 434.51 g/mol
• Exact Mass: 434.20
• IUPAC Name: N-[[(5S)-3-[4-[4-(3-cyclopenta-1,3-dien-1-ylpropyl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CCCC4=CC=CC4)cc3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C26H27FN2O3/c1-18(30)28-16-23-17-29(26(31)32-23)22-13-14-24(25(27)15-22)21-11-9-20(10-12-21)8-4-7-19-5-2-3-6-19/h2-3,5,9-15,23H,4,6-8,16-17H2,1H3,(H,28,30)/t23-/m0/s1
• InChIKey: VJTLZAUSKBJBGJ-QHCPKHFHSA-N
• XLogP: 5.16
• TPSA: 58.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.51
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[[(5S)-3-[4-[4-(3-cyclopenta-1,3-dien-1-ylpropyl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 58045453) is N-[[(5S)-3-[4-[4-(3-cyclopenta-1,3-dien-1-ylpropyl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

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

The canonical SMILES for N-[[(5S)-3-[4-[4-(3-cyclopenta-1,3-dien-1-ylpropyl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CCCC4=CC=CC4)cc3)c(F)c2)C(=O)O1.

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

The InChIKey is VJTLZAUSKBJBGJ-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H27FN2O3/c1-18(30)28-16-23-17-29(26(31)32-23)22-13-14-24(25(27)15-22)21-11-9-20(10-12-21)8-4-7-19-5-2-3-6-19/h2-3,5,9-15,23H,4,6-8,16-17H2,1H3,(H,28,30)/t23-/m0/s1.

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

N-[[(5S)-3-[4-[4-(3-cyclopenta-1,3-dien-1-ylpropyl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 434.51 g/mol, XLogP of 5.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-[4-[4-(3-cyclopenta-1,3-dien-1-ylpropyl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 58045453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).