N-[[3-[4-[2-aminoethyl(methanimidoyl)amino]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C15H19F2N5O3 — CID 89083126

IUPACN-[[3-[4-[2-aminoethyl(methanimidoyl)amino]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILES[H]/N=C/N(CCN)c1c(F)cc(N2CC(CNC(C)=O)OC2=O)cc1F
InChIInChI=1S/C15H19F2N5O3/c1-9(23)20-6-11-7-22(15(24)25-11)10-4-12(16)14(13(17)5-10)21(8-19)3-2-18/h4-5,8,11,19H,2-3,6-7,18H2,1H3,(H,20,23)/b19-8+
InChIKeyLKDQOBKCOXAOPQ-UFWORHAWSA-N
MW355.35 g/mol
LogP0.80
Rot. Bonds7

About N-[[3-[4-[2-aminoethyl(methanimidoyl)amino]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[3-[4-[2-aminoethyl(methanimidoyl)amino]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 89083126) has the molecular formula C15H19F2N5O3 and a molecular weight of 355.35 g/mol. Its IUPAC name is N-[[3-[4-[2-aminoethyl(methanimidoyl)amino]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[4-[2-aminoethyl(methanimidoyl)amino]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID89083126
Molecular FormulaC15H19F2N5O3
Molecular Weight355.35 g/mol
Exact Mass355.15
IUPAC NameN-[[3-[4-[2-aminoethyl(methanimidoyl)amino]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILES[H]/N=C/N(CCN)c1c(F)cc(N2CC(CNC(C)=O)OC2=O)cc1F
InChIInChI=1S/C15H19F2N5O3/c1-9(23)20-6-11-7-22(15(24)25-11)10-4-12(16)14(13(17)5-10)21(8-19)3-2-18/h4-5,8,11,19H,2-3,6-7,18H2,1H3,(H,20,23)/b19-8+
InChIKeyLKDQOBKCOXAOPQ-UFWORHAWSA-N
XLogP0.80
TPSA111.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-[3,5-difluoro-4-[methyl-[2-[methyl(methylamino)amino]ethyl]amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 70902063
N-[[3-[4-[2-[2-[diazenyl(methanimidoyl)amino]acetyl]-1,2,5-oxadiazepan-5-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 143551816
N-[[(5S)-3-[4-(4-aminopiperidin-1-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 68943046
N-[[(5S)-3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15164522
3-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 22505084
N-[[(5S)-3-[3,5-difluoro-4-[(1S,5R)-3-hydroxy-3-thioniabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 153101011
N-[[3-[4-[ethenyl(propyl)amino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 91428391
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-(3,5-difluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;methanol
CID 166748430

Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-[2-aminoethyl(methanimidoyl)amino]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-[4-[2-aminoethyl(methanimidoyl)amino]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 89083126) is N-[[3-[4-[2-aminoethyl(methanimidoyl)amino]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-[4-[2-aminoethyl(methanimidoyl)amino]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-[4-[2-aminoethyl(methanimidoyl)amino]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is [H]/N=C/N(CCN)c1c(F)cc(N2CC(CNC(C)=O)OC2=O)cc1F.
What is the InChIKey of N-[[3-[4-[2-aminoethyl(methanimidoyl)amino]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is LKDQOBKCOXAOPQ-UFWORHAWSA-N. The full InChI is InChI=1S/C15H19F2N5O3/c1-9(23)20-6-11-7-22(15(24)25-11)10-4-12(16)14(13(17)5-10)21(8-19)3-2-18/h4-5,8,11,19H,2-3,6-7,18H2,1H3,(H,20,23)/b19-8+.
What are the key properties of N-[[3-[4-[2-aminoethyl(methanimidoyl)amino]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[3-[4-[2-aminoethyl(methanimidoyl)amino]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 355.35 g/mol, XLogP of 0.80, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-[2-aminoethyl(methanimidoyl)amino]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 89083126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).