3-(3-fluoro-4-methylphenyl)-5-[2-[[2-hydroxy-2-(3-methoxyquinoxalin-5-yl)ethyl]amino]ethyl]-1,3-oxazolidin-2-one

C23H25FN4O4 — CID 25116478

IUPAC3-(3-fluoro-4-methylphenyl)-5-[2-[[2-hydroxy-2-(3-methoxyquinoxalin-5-yl)ethyl]amino]ethyl]-1,3-oxazolidin-2-one
SMILESCOc1cnc2cccc(C(O)CNCCC3CN(c4ccc(C)c(F)c4)C(=O)O3)c2n1
InChIInChI=1S/C23H25FN4O4/c1-14-6-7-15(10-18(14)24)28-13-16(32-23(28)30)8-9-25-11-20(29)17-4-3-5-19-22(17)27-21(31-2)12-26-19/h3-7,10,12,16,20,25,29H,8-9,11,13H2,1-2H3
InChIKeyYLBKPNZPDIDWLM-UHFFFAOYSA-N
MW440.48 g/mol
LogP3.12
Rot. Bonds8

About 3-(3-fluoro-4-methylphenyl)-5-[2-[[2-hydroxy-2-(3-methoxyquinoxalin-5-yl)ethyl]amino]ethyl]-1,3-oxazolidin-2-one

3-(3-fluoro-4-methylphenyl)-5-[2-[[2-hydroxy-2-(3-methoxyquinoxalin-5-yl)ethyl]amino]ethyl]-1,3-oxazolidin-2-one (PubChem CID 25116478) has the molecular formula C23H25FN4O4 and a molecular weight of 440.48 g/mol. Its IUPAC name is 3-(3-fluoro-4-methylphenyl)-5-[2-[[2-hydroxy-2-(3-methoxyquinoxalin-5-yl)ethyl]amino]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(3-fluoro-4-methylphenyl)-5-[2-[[2-hydroxy-2-(3-methoxyquinoxalin-5-yl)ethyl]amino]ethyl]-1,3-oxazolidin-2-one
PubChem CID25116478
Molecular FormulaC23H25FN4O4
Molecular Weight440.48 g/mol
Exact Mass440.19
IUPAC Name3-(3-fluoro-4-methylphenyl)-5-[2-[[2-hydroxy-2-(3-methoxyquinoxalin-5-yl)ethyl]amino]ethyl]-1,3-oxazolidin-2-one
SMILESCOc1cnc2cccc(C(O)CNCCC3CN(c4ccc(C)c(F)c4)C(=O)O3)c2n1
InChIInChI=1S/C23H25FN4O4/c1-14-6-7-15(10-18(14)24)28-13-16(32-23(28)30)8-9-25-11-20(29)17-4-3-5-19-22(17)27-21(31-2)12-26-19/h3-7,10,12,16,20,25,29H,8-9,11,13H2,1-2H3
InChIKeyYLBKPNZPDIDWLM-UHFFFAOYSA-N
XLogP3.12
TPSA96.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methylphenyl)-5-[2-[[2-hydroxy-2-(3-methoxyquinoxalin-5-yl)ethyl]amino]ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-(3-fluoro-4-methylphenyl)-5-[2-[[2-hydroxy-2-(3-methoxyquinoxalin-5-yl)ethyl]amino]ethyl]-1,3-oxazolidin-2-one (CID 25116478) is 3-(3-fluoro-4-methylphenyl)-5-[2-[[2-hydroxy-2-(3-methoxyquinoxalin-5-yl)ethyl]amino]ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(3-fluoro-4-methylphenyl)-5-[2-[[2-hydroxy-2-(3-methoxyquinoxalin-5-yl)ethyl]amino]ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(3-fluoro-4-methylphenyl)-5-[2-[[2-hydroxy-2-(3-methoxyquinoxalin-5-yl)ethyl]amino]ethyl]-1,3-oxazolidin-2-one is COc1cnc2cccc(C(O)CNCCC3CN(c4ccc(C)c(F)c4)C(=O)O3)c2n1.
What is the InChIKey of 3-(3-fluoro-4-methylphenyl)-5-[2-[[2-hydroxy-2-(3-methoxyquinoxalin-5-yl)ethyl]amino]ethyl]-1,3-oxazolidin-2-one?
The InChIKey is YLBKPNZPDIDWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O4/c1-14-6-7-15(10-18(14)24)28-13-16(32-23(28)30)8-9-25-11-20(29)17-4-3-5-19-22(17)27-21(31-2)12-26-19/h3-7,10,12,16,20,25,29H,8-9,11,13H2,1-2H3.
What are the key properties of 3-(3-fluoro-4-methylphenyl)-5-[2-[[2-hydroxy-2-(3-methoxyquinoxalin-5-yl)ethyl]amino]ethyl]-1,3-oxazolidin-2-one?
3-(3-fluoro-4-methylphenyl)-5-[2-[[2-hydroxy-2-(3-methoxyquinoxalin-5-yl)ethyl]amino]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 440.48 g/mol, XLogP of 3.12, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methylphenyl)-5-[2-[[2-hydroxy-2-(3-methoxyquinoxalin-5-yl)ethyl]amino]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 25116478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).