N-[[(5S)-3-[4-[4-[[(Z)-3-amino-2-hydrazinylprop-2-enyl]amino]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C21H25FN6O3 — CID 155016295

IUPACN-[[(5S)-3-[4-[4-[[(Z)-3-amino-2-hydrazinylprop-2-enyl]amino]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(NC/C(=C/N)NN)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C21H25FN6O3/c1-13(29)25-11-18-12-28(21(30)31-18)17-6-7-19(20(22)8-17)14-2-4-15(5-3-14)26-10-16(9-23)27-24/h2-9,18,26-27H,10-12,23-24H2,1H3,(H,25,29)/b16-9-/t18-/m0/s1
InChIKeyYWMOXTCYXVRTTK-VUZIPCMWSA-N
MW428.47 g/mol
LogP1.63
Rot. Bonds8

About N-[[(5S)-3-[4-[4-[[(Z)-3-amino-2-hydrazinylprop-2-enyl]amino]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[4-[4-[[(Z)-3-amino-2-hydrazinylprop-2-enyl]amino]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 155016295) has the molecular formula C21H25FN6O3 and a molecular weight of 428.47 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[4-[[(Z)-3-amino-2-hydrazinylprop-2-enyl]amino]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[4-[4-[[(Z)-3-amino-2-hydrazinylprop-2-enyl]amino]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID155016295
Molecular FormulaC21H25FN6O3
Molecular Weight428.47 g/mol
Exact Mass428.20
IUPAC NameN-[[(5S)-3-[4-[4-[[(Z)-3-amino-2-hydrazinylprop-2-enyl]amino]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(NC/C(=C/N)NN)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C21H25FN6O3/c1-13(29)25-11-18-12-28(21(30)31-18)17-6-7-19(20(22)8-17)14-2-4-15(5-3-14)26-10-16(9-23)27-24/h2-9,18,26-27H,10-12,23-24H2,1H3,(H,25,29)/b16-9-/t18-/m0/s1
InChIKeyYWMOXTCYXVRTTK-VUZIPCMWSA-N
XLogP1.63
TPSA134.74 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 51.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(3-fluoro-4-pyridin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10381901
strontium;N-[[(5S)-3-[3-fluoro-4-(4-methanidylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;hydride
CID 173478166
N-[[3-[3-fluoro-4-[4-(hydroxyiminomethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 173196227
N-[[3-[4-(4-carbamimidoylphenyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 69098860
N-[[(5S)-3-[4-[4-[[(2E)-2-[(Z)-2-aminoethenyl]penta-2,4-dienyl]carbamoylamino]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 88876050
N-[[3-[4-(4-cyanophenyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 69098886
N-[[3-[3-fluoro-4-(4-isocyanophenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 23404253
N-[[(5S)-3-[4-[4-[(carbamothioylhydrazinylidene)methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 175394534
N-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl]-3-aminopropanamide
CID 11247379
N-[[3-[3-fluoro-4-(3-fluorophenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 142987396
N-[[3-[3-fluoro-4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22274293
[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methanesulfinyl iodide
CID 143007056

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-[4-[[(Z)-3-amino-2-hydrazinylprop-2-enyl]amino]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[4-[4-[[(Z)-3-amino-2-hydrazinylprop-2-enyl]amino]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 155016295) is N-[[(5S)-3-[4-[4-[[(Z)-3-amino-2-hydrazinylprop-2-enyl]amino]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[4-[4-[[(Z)-3-amino-2-hydrazinylprop-2-enyl]amino]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[4-[4-[[(Z)-3-amino-2-hydrazinylprop-2-enyl]amino]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(NC/C(=C/N)NN)cc3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[4-[4-[[(Z)-3-amino-2-hydrazinylprop-2-enyl]amino]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is YWMOXTCYXVRTTK-VUZIPCMWSA-N. The full InChI is InChI=1S/C21H25FN6O3/c1-13(29)25-11-18-12-28(21(30)31-18)17-6-7-19(20(22)8-17)14-2-4-15(5-3-14)26-10-16(9-23)27-24/h2-9,18,26-27H,10-12,23-24H2,1H3,(H,25,29)/b16-9-/t18-/m0/s1.
What are the key properties of N-[[(5S)-3-[4-[4-[[(Z)-3-amino-2-hydrazinylprop-2-enyl]amino]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[4-[4-[[(Z)-3-amino-2-hydrazinylprop-2-enyl]amino]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 428.47 g/mol, XLogP of 1.63, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[4-[4-[[(Z)-3-amino-2-hydrazinylprop-2-enyl]amino]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 155016295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).