N-[[(5S)-3-[3-fluoro-4-[(3R)-3-[4-(4-fluorophenyl)pyrazol-1-yl]pyrrolidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C25H25F2N5O3 — CID 44599151

About N-[[(5S)-3-[3-fluoro-4-[(3R)-3-[4-(4-fluorophenyl)pyrazol-1-yl]pyrrolidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[3-fluoro-4-[(3R)-3-[4-(4-fluorophenyl)pyrazol-1-yl]pyrrolidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 44599151) has the molecular formula C25H25F2N5O3 and a molecular weight of 481.50 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[(3R)-3-[4-(4-fluorophenyl)pyrazol-1-yl]pyrrolidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[(5S)-3-[3-fluoro-4-[(3R)-3-[4-(4-fluorophenyl)pyrazol-1-yl]pyrrolidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 44599151
• Molecular Formula: C25H25F2N5O3
• Molecular Weight: 481.50 g/mol
• Exact Mass: 481.19
• IUPAC Name: N-[[(5S)-3-[3-fluoro-4-[(3R)-3-[4-(4-fluorophenyl)pyrazol-1-yl]pyrrolidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CC(=O)NC[C@H]1CN(c2ccc(N3CC[C@@H](n4cc(-c5ccc(F)cc5)cn4)C3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C25H25F2N5O3/c1-16(33)28-12-22-15-31(25(34)35-22)20-6-7-24(23(27)10-20)30-9-8-21(14-30)32-13-18(11-29-32)17-2-4-19(26)5-3-17/h2-7,10-11,13,21-22H,8-9,12,14-15H2,1H3,(H,28,33)/t21-,22+/m1/s1
• InChIKey: ACAGHIUNEDDQJA-YADHBBJMSA-N
• XLogP: 3.74
• TPSA: 79.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.50
LogP ≤ 5	3.74
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-[3-fluoro-4-[(3R)-3-[4-(4-fluorophenyl)pyrazol-1-yl]pyrrolidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[(3R)-3-[4-(4-fluorophenyl)pyrazol-1-yl]pyrrolidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 44599151) is N-[[(5S)-3-[3-fluoro-4-[(3R)-3-[4-(4-fluorophenyl)pyrazol-1-yl]pyrrolidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-[(3R)-3-[4-(4-fluorophenyl)pyrazol-1-yl]pyrrolidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[(3R)-3-[4-(4-fluorophenyl)pyrazol-1-yl]pyrrolidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(N3CC[C@@H](n4cc(-c5ccc(F)cc5)cn4)C3)c(F)c2)C(=O)O1.

What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[(3R)-3-[4-(4-fluorophenyl)pyrazol-1-yl]pyrrolidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The InChIKey is ACAGHIUNEDDQJA-YADHBBJMSA-N. The full InChI is InChI=1S/C25H25F2N5O3/c1-16(33)28-12-22-15-31(25(34)35-22)20-6-7-24(23(27)10-20)30-9-8-21(14-30)32-13-18(11-29-32)17-2-4-19(26)5-3-17/h2-7,10-11,13,21-22H,8-9,12,14-15H2,1H3,(H,28,33)/t21-,22+/m1/s1.

What are the key properties of N-[[(5S)-3-[3-fluoro-4-[(3R)-3-[4-(4-fluorophenyl)pyrazol-1-yl]pyrrolidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

N-[[(5S)-3-[3-fluoro-4-[(3R)-3-[4-(4-fluorophenyl)pyrazol-1-yl]pyrrolidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 481.50 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-[3-fluoro-4-[(3R)-3-[4-(4-fluorophenyl)pyrazol-1-yl]pyrrolidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 44599151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).