N-[[3-[4-[ethenyl(propyl)amino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C17H21FN3O3+ — CID 91428391

IUPACN-[[3-[4-[ethenyl(propyl)amino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILES[H]/[C+]=C/N(CCC)c1ccc(N2CC(CNC(C)=O)OC2=O)cc1F
InChIInChI=1S/C17H20FN3O3/c1-4-8-20(5-2)16-7-6-13(9-15(16)18)21-11-14(24-17(21)23)10-19-12(3)22/h2,5-7,9,14H,4,8,10-11H2,1,3H3/p+1
InChIKeyCTWLEMFISBNHOD-UHFFFAOYSA-O
MW334.37 g/mol
LogP2.45
Rot. Bonds7

About N-[[3-[4-[ethenyl(propyl)amino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[3-[4-[ethenyl(propyl)amino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 91428391) has the molecular formula C17H21FN3O3+ and a molecular weight of 334.37 g/mol. Its IUPAC name is N-[[3-[4-[ethenyl(propyl)amino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[4-[ethenyl(propyl)amino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID91428391
Molecular FormulaC17H21FN3O3+
Molecular Weight334.37 g/mol
Exact Mass334.16
IUPAC NameN-[[3-[4-[ethenyl(propyl)amino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILES[H]/[C+]=C/N(CCC)c1ccc(N2CC(CNC(C)=O)OC2=O)cc1F
InChIInChI=1S/C17H20FN3O3/c1-4-8-20(5-2)16-7-6-13(9-15(16)18)21-11-14(24-17(21)23)10-19-12(3)22/h2,5-7,9,14H,4,8,10-11H2,1,3H3/p+1
InChIKeyCTWLEMFISBNHOD-UHFFFAOYSA-O
XLogP2.45
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[(5S)-3-[3-fluoro-4-[2-formamidoethyl(methanimidoyl)amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 88931232
N-[[3-[4-[2-(dimethylsulfamoylamino)ethyl-methanimidoylamino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 90810755
N-[[(5S)-3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15164522
N-[[(5S)-3-[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11290525
N-[[3-[4-[(5R)-3-azabicyclo[3.1.0]hexan-3-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 142224217
4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzoic acid
CID 129386385
N-[[(5S)-3-[4-(3,4-dihydroxypyrrolidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 86725189
N-[[(5S)-3-[3-fluoro-4-(2-hydroxyethylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15433046
N-[[(5S)-3-[4-[(1R,5R,6S)-6-amino-3-bicyclo[3.1.0]hex-2-enyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 20786636
N-[[(5S)-3-[4-[(1R,5S,6R)-6-amino-3-bicyclo[3.1.0]hex-2-enyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10132307
N-[[(5S)-3-[3-fluoro-4-[(2S)-3-fluoro-2-methylazetidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 70193904
N-[[3-[3-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 21473386

Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-[ethenyl(propyl)amino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-[4-[ethenyl(propyl)amino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 91428391) is N-[[3-[4-[ethenyl(propyl)amino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-[4-[ethenyl(propyl)amino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-[4-[ethenyl(propyl)amino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is [H]/[C+]=C/N(CCC)c1ccc(N2CC(CNC(C)=O)OC2=O)cc1F.
What is the InChIKey of N-[[3-[4-[ethenyl(propyl)amino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is CTWLEMFISBNHOD-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H20FN3O3/c1-4-8-20(5-2)16-7-6-13(9-15(16)18)21-11-14(24-17(21)23)10-19-12(3)22/h2,5-7,9,14H,4,8,10-11H2,1,3H3/p+1.
What are the key properties of N-[[3-[4-[ethenyl(propyl)amino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[3-[4-[ethenyl(propyl)amino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 334.37 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-[ethenyl(propyl)amino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 91428391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).