N-[[(5R)-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-methoxyacetamide

C22H24FN3O4 — CID 10364395

About N-[[(5R)-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-methoxyacetamide

N-[[(5R)-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-methoxyacetamide (PubChem CID 10364395) has the molecular formula C22H24FN3O4 and a molecular weight of 413.45 g/mol. Its IUPAC name is N-[[(5R)-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-methoxyacetamide.

Molecular Properties

• Compound Name: N-[[(5R)-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-methoxyacetamide
• PubChem CID: 10364395
• Molecular Formula: C22H24FN3O4
• Molecular Weight: 413.45 g/mol
• Exact Mass: 413.18
• IUPAC Name: N-[[(5R)-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-methoxyacetamide
• SMILES: COCC(=O)NC[C@@H]1CN(c2ccc(N3CCc4ccccc4C3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C22H24FN3O4/c1-29-14-21(27)24-11-18-13-26(22(28)30-18)17-6-7-20(19(23)10-17)25-9-8-15-4-2-3-5-16(15)12-25/h2-7,10,18H,8-9,11-14H2,1H3,(H,24,27)/t18-/m1/s1
• InChIKey: JADDACURTVCZST-GOSISDBHSA-N
• XLogP: 2.48
• TPSA: 71.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.45
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

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-[[(5R)-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-methoxyacetamide?

The IUPAC name of N-[[(5R)-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-methoxyacetamide (CID 10364395) is N-[[(5R)-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-methoxyacetamide.

What is the SMILES notation for N-[[(5R)-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-methoxyacetamide?

The canonical SMILES for N-[[(5R)-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-methoxyacetamide is COCC(=O)NC[C@@H]1CN(c2ccc(N3CCc4ccccc4C3)c(F)c2)C(=O)O1.

What is the InChIKey of N-[[(5R)-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-methoxyacetamide?

The InChIKey is JADDACURTVCZST-GOSISDBHSA-N. The full InChI is InChI=1S/C22H24FN3O4/c1-29-14-21(27)24-11-18-13-26(22(28)30-18)17-6-7-20(19(23)10-17)25-9-8-15-4-2-3-5-16(15)12-25/h2-7,10,18H,8-9,11-14H2,1H3,(H,24,27)/t18-/m1/s1.

What are the key properties of N-[[(5R)-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-methoxyacetamide?

N-[[(5R)-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-methoxyacetamide has a molecular weight of 413.45 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5R)-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-methoxyacetamide is sourced from PubChem (CID 10364395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).