(5S)-3-[3-fluoro-4-(2-hydrazinylethylamino)phenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one

C13H20FN5O2 — CID 58361744

IUPAC(5S)-3-[3-fluoro-4-(2-hydrazinylethylamino)phenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one
SMILESCNC[C@H]1CN(c2ccc(NCCNN)c(F)c2)C(=O)O1
InChIInChI=1S/C13H20FN5O2/c1-16-7-10-8-19(13(20)21-10)9-2-3-12(11(14)6-9)17-4-5-18-15/h2-3,6,10,16-18H,4-5,7-8,15H2,1H3/t10-/m0/s1
InChIKeyPLRZVCKNKMZBDJ-JTQLQIEISA-N
MW297.33 g/mol
LogP0.25
Rot. Bonds7

About (5S)-3-[3-fluoro-4-(2-hydrazinylethylamino)phenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one

(5S)-3-[3-fluoro-4-(2-hydrazinylethylamino)phenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one (PubChem CID 58361744) has the molecular formula C13H20FN5O2 and a molecular weight of 297.33 g/mol. Its IUPAC name is (5S)-3-[3-fluoro-4-(2-hydrazinylethylamino)phenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-3-[3-fluoro-4-(2-hydrazinylethylamino)phenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one
PubChem CID58361744
Molecular FormulaC13H20FN5O2
Molecular Weight297.33 g/mol
Exact Mass297.16
IUPAC Name(5S)-3-[3-fluoro-4-(2-hydrazinylethylamino)phenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one
SMILESCNC[C@H]1CN(c2ccc(NCCNN)c(F)c2)C(=O)O1
InChIInChI=1S/C13H20FN5O2/c1-16-7-10-8-19(13(20)21-10)9-2-3-12(11(14)6-9)17-4-5-18-15/h2-3,6,10,16-18H,4-5,7-8,15H2,1H3/t10-/m0/s1
InChIKeyPLRZVCKNKMZBDJ-JTQLQIEISA-N
XLogP0.25
TPSA91.65 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 50.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

3-[3-fluoro-4-(2-hydrazinylethylamino)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 76734453
N-[[(5S)-3-[3-fluoro-4-(2-hydroxyethylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15433046
5-(aminomethyl)-3-[3-fluoro-4-(2-methoxyethylamino)phenyl]-1,3-oxazolidin-2-one
CID 123193318
3-[4-(2-ethoxyethylamino)-3-fluorophenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one
CID 90929049
N-[2-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoroanilino]ethyl]morpholine-4-carboxamide
CID 163813481
O-butyl N-[2-[4-[(5S)-5-[(2-chloropropanoylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluoroanilino]ethyl]carbamothioate
CID 143613153
acetaldehyde;3-[4-[(5R)-3-azabicyclo[3.1.0]hexan-3-yl]-3-fluorophenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one;ethanol
CID 142224197
tert-butyl N-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]carbamate
CID 139949494
N-[[(5S)-3-[4-[2-(1,3-dioxoisoindol-2-yl)oxyethylamino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58361767
3-[4-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-3-fluorophenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one
CID 145237995
5-chloro-N-[[(5S)-3-[3-fluoro-4-(2-methoxyethylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 163521025
(5S)-3-[4-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-3-fluorophenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one
CID 141498358

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[3-fluoro-4-(2-hydrazinylethylamino)phenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-3-[3-fluoro-4-(2-hydrazinylethylamino)phenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one (CID 58361744) is (5S)-3-[3-fluoro-4-(2-hydrazinylethylamino)phenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-3-[3-fluoro-4-(2-hydrazinylethylamino)phenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-3-[3-fluoro-4-(2-hydrazinylethylamino)phenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one is CNC[C@H]1CN(c2ccc(NCCNN)c(F)c2)C(=O)O1.
What is the InChIKey of (5S)-3-[3-fluoro-4-(2-hydrazinylethylamino)phenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one?
The InChIKey is PLRZVCKNKMZBDJ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20FN5O2/c1-16-7-10-8-19(13(20)21-10)9-2-3-12(11(14)6-9)17-4-5-18-15/h2-3,6,10,16-18H,4-5,7-8,15H2,1H3/t10-/m0/s1.
What are the key properties of (5S)-3-[3-fluoro-4-(2-hydrazinylethylamino)phenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one?
(5S)-3-[3-fluoro-4-(2-hydrazinylethylamino)phenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one has a molecular weight of 297.33 g/mol, XLogP of 0.25, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[3-fluoro-4-(2-hydrazinylethylamino)phenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 58361744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).