3-[4-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]-5-ethyl-1,3-oxazolidin-2-one

C17H25FN2O3 — CID 90898439

IUPAC3-[4-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]-5-ethyl-1,3-oxazolidin-2-one
SMILESCCOCCN(CC)c1ccc(N2CC(CC)OC2=O)cc1F
InChIInChI=1S/C17H25FN2O3/c1-4-14-12-20(17(21)23-14)13-7-8-16(15(18)11-13)19(5-2)9-10-22-6-3/h7-8,11,14H,4-6,9-10,12H2,1-3H3
InChIKeyOXQPJBAKRRATEL-UHFFFAOYSA-N
MW324.40 g/mol
LogP3.42
Rot. Bonds8

About 3-[4-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]-5-ethyl-1,3-oxazolidin-2-one

3-[4-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]-5-ethyl-1,3-oxazolidin-2-one (PubChem CID 90898439) has the molecular formula C17H25FN2O3 and a molecular weight of 324.40 g/mol. Its IUPAC name is 3-[4-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]-5-ethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]-5-ethyl-1,3-oxazolidin-2-one
PubChem CID90898439
Molecular FormulaC17H25FN2O3
Molecular Weight324.40 g/mol
Exact Mass324.18
IUPAC Name3-[4-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]-5-ethyl-1,3-oxazolidin-2-one
SMILESCCOCCN(CC)c1ccc(N2CC(CC)OC2=O)cc1F
InChIInChI=1S/C17H25FN2O3/c1-4-14-12-20(17(21)23-14)13-7-8-16(15(18)11-13)19(5-2)9-10-22-6-3/h7-8,11,14H,4-6,9-10,12H2,1-3H3
InChIKeyOXQPJBAKRRATEL-UHFFFAOYSA-N
XLogP3.42
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-[4-[ethyl(2-propan-2-yloxyethyl)amino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylphosphinous acid
CID 91354985
N-[2-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-ethyl-2-fluoroanilino]ethoxy]-2-(3-fluoropropylamino)-N-methylacetamide
CID 89067456
tert-butyl N-[2-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-ethyl-2-fluoroanilino]ethyl]-N-(methylamino)carbamate
CID 70891592
N-[2-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-ethyl-2-fluoroanilino]ethoxy]-N-methyl-2-(tetrazol-2-yl)acetamide
CID 89217878
(5R)-3-[3-fluoro-4-[methyl(propyl)amino]phenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one
CID 58361782
N-[2-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-ethyl-2-fluoroanilino]ethoxy]-N-methyl-2-(2H-triazol-4-ylmethylamino)acetamide
CID 89217947
2-[[2-[4-[(5S)-5-[[(2,2-difluoroacetyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-N-ethyl-2-fluoroanilino]ethylamino]-methylamino]-2-oxoacetic acid
CID 71043870
(5S)-5-ethyl-3-[4-(4-ethylphenyl)-3-fluorophenyl]-1,3-oxazolidin-2-one
CID 59264706
1-[4-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]ethanone
CID 63697407
(5S)-5-ethyl-3-[3-fluoro-4-(4-isocyanopiperazin-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 91016605
4-[4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]morpholin-3-one
CID 118177592
ethane;5-ethyl-3-[3-fluoro-4-(2,2,6,6-tetrahydroxymorpholin-4-yl)phenyl]-1,3-oxazolidin-2-one
CID 143914751

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]-5-ethyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]-5-ethyl-1,3-oxazolidin-2-one (CID 90898439) is 3-[4-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]-5-ethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]-5-ethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]-5-ethyl-1,3-oxazolidin-2-one is CCOCCN(CC)c1ccc(N2CC(CC)OC2=O)cc1F.
What is the InChIKey of 3-[4-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]-5-ethyl-1,3-oxazolidin-2-one?
The InChIKey is OXQPJBAKRRATEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O3/c1-4-14-12-20(17(21)23-14)13-7-8-16(15(18)11-13)19(5-2)9-10-22-6-3/h7-8,11,14H,4-6,9-10,12H2,1-3H3.
What are the key properties of 3-[4-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]-5-ethyl-1,3-oxazolidin-2-one?
3-[4-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]-5-ethyl-1,3-oxazolidin-2-one has a molecular weight of 324.40 g/mol, XLogP of 3.42, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]-5-ethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 90898439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).