3-[4-(2-ethoxyethylamino)-3-fluorophenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one

C15H21FN2O3P- — CID 90929049

IUPAC3-[4-(2-ethoxyethylamino)-3-fluorophenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one
SMILESC[CH-]OCCNc1ccc(N2CC(CPC)OC2=O)cc1F
InChIInChI=1S/C15H21FN2O3P/c1-3-20-7-6-17-14-5-4-11(8-13(14)16)18-9-12(10-22-2)21-15(18)19/h3-5,8,12,17,22H,6-7,9-10H2,1-2H3/q-1
InChIKeyAXUKICDTIYZYDK-UHFFFAOYSA-N
MW327.32 g/mol
LogP3.07
Rot. Bonds8

About 3-[4-(2-ethoxyethylamino)-3-fluorophenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one

3-[4-(2-ethoxyethylamino)-3-fluorophenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one (PubChem CID 90929049) has the molecular formula C15H21FN2O3P- and a molecular weight of 327.32 g/mol. Its IUPAC name is 3-[4-(2-ethoxyethylamino)-3-fluorophenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-(2-ethoxyethylamino)-3-fluorophenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one
PubChem CID90929049
Molecular FormulaC15H21FN2O3P-
Molecular Weight327.32 g/mol
Exact Mass327.13
IUPAC Name3-[4-(2-ethoxyethylamino)-3-fluorophenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one
SMILESC[CH-]OCCNc1ccc(N2CC(CPC)OC2=O)cc1F
InChIInChI=1S/C15H21FN2O3P/c1-3-20-7-6-17-14-5-4-11(8-13(14)16)18-9-12(10-22-2)21-15(18)19/h3-5,8,12,17,22H,6-7,9-10H2,1-2H3/q-1
InChIKeyAXUKICDTIYZYDK-UHFFFAOYSA-N
XLogP3.07
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(aminomethyl)-3-[3-fluoro-4-(2-methoxyethylamino)phenyl]-1,3-oxazolidin-2-one
CID 123193318
(5S)-3-[3-fluoro-4-(2-hydrazinylethylamino)phenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one
CID 58361744
N-[[(5S)-3-[3-fluoro-4-(2-hydroxyethylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15433046
(5R)-3-[3-fluoro-4-[methyl(propyl)amino]phenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one
CID 58361782
O-butyl N-[2-[4-[(5S)-5-[(2-chloropropanoylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluoroanilino]ethyl]carbamothioate
CID 143613153
N-[[(5S)-3-[4-[2-(1,3-dioxoisoindol-2-yl)oxyethylamino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58361767
5-chloro-N-[[(5S)-3-[3-fluoro-4-(2-methoxyethylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 163521025
3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3-fluorophenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one
CID 76734339
N-[2-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoroanilino]ethyl]-4-(4-methoxyphenyl)butanamide
CID 142898165
3-[3-fluoro-4-(2-hydrazinylethylamino)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 76734453
5-(cyclopropyloxymethyl)-3-[3-fluoro-4-[2-[(1-hydroxy-3-oxo-1H-isoindol-2-yl)oxy]ethylamino]phenyl]-1,3-oxazolidin-2-one
CID 90844039
N-[2-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoroanilino]ethyl]morpholine-4-carboxamide
CID 163813481

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-ethoxyethylamino)-3-fluorophenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-(2-ethoxyethylamino)-3-fluorophenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one (CID 90929049) is 3-[4-(2-ethoxyethylamino)-3-fluorophenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-(2-ethoxyethylamino)-3-fluorophenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-(2-ethoxyethylamino)-3-fluorophenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one is C[CH-]OCCNc1ccc(N2CC(CPC)OC2=O)cc1F.
What is the InChIKey of 3-[4-(2-ethoxyethylamino)-3-fluorophenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is AXUKICDTIYZYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3P/c1-3-20-7-6-17-14-5-4-11(8-13(14)16)18-9-12(10-22-2)21-15(18)19/h3-5,8,12,17,22H,6-7,9-10H2,1-2H3/q-1.
What are the key properties of 3-[4-(2-ethoxyethylamino)-3-fluorophenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one?
3-[4-(2-ethoxyethylamino)-3-fluorophenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 327.32 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-ethoxyethylamino)-3-fluorophenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 90929049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).