N-[[(5S)-3-[4-[(Z)-N-amino-N-methyl-N'-(methylideneamino)carbamimidoyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C15H19FN6O3 — CID 89174951

IUPACN-[[(5S)-3-[4-[(Z)-N-amino-N-methyl-N'-(methylideneamino)carbamimidoyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESC=N/N=C(/c1ccc(N2C[C@H](CNC(C)=O)OC2=O)cc1F)N(C)N
InChIInChI=1S/C15H19FN6O3/c1-9(23)19-7-11-8-22(15(24)25-11)10-4-5-12(13(16)6-10)14(20-18-2)21(3)17/h4-6,11H,2,7-8,17H2,1,3H3,(H,19,23)/b20-14-/t11-/m0/s1
InChIKeyCDUXEFPUCSLOPJ-CJJSWDBDSA-N
MW350.35 g/mol
LogP0.45
Rot. Bonds5

About N-[[(5S)-3-[4-[(Z)-N-amino-N-methyl-N'-(methylideneamino)carbamimidoyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[4-[(Z)-N-amino-N-methyl-N'-(methylideneamino)carbamimidoyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 89174951) has the molecular formula C15H19FN6O3 and a molecular weight of 350.35 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[(Z)-N-amino-N-methyl-N'-(methylideneamino)carbamimidoyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[4-[(Z)-N-amino-N-methyl-N'-(methylideneamino)carbamimidoyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID89174951
Molecular FormulaC15H19FN6O3
Molecular Weight350.35 g/mol
Exact Mass350.15
IUPAC NameN-[[(5S)-3-[4-[(Z)-N-amino-N-methyl-N'-(methylideneamino)carbamimidoyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESC=N/N=C(/c1ccc(N2C[C@H](CNC(C)=O)OC2=O)cc1F)N(C)N
InChIInChI=1S/C15H19FN6O3/c1-9(23)19-7-11-8-22(15(24)25-11)10-4-5-12(13(16)6-10)14(20-18-2)21(3)17/h4-6,11H,2,7-8,17H2,1,3H3,(H,19,23)/b20-14-/t11-/m0/s1
InChIKeyCDUXEFPUCSLOPJ-CJJSWDBDSA-N
XLogP0.45
TPSA112.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[(5S)-3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15164522
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-[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
N-[[(5S)-3-[4-[(3S,4R)-3,4-dihydroxypiperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 59994592
N-[[(5S)-3-[4-[3-(difluoromethylidene)azetidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 70196493
N-[[(5S)-3-[3-fluoro-4-(3-methoxyazetidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15381194
3-[[(5S)-3-[4-[4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylamino]-3-oxopropanoic acid
CID 10370215
N-[[(5R)-3-[4-[4-[(5S)-5-[(diaminomethylideneamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10345940
N-[[(5S)-3-[3-fluoro-4-(3-hydroxy-2-oxopyrrolidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 142714003
N-[[(5S)-3-[3-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 18391862

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-[(Z)-N-amino-N-methyl-N'-(methylideneamino)carbamimidoyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[4-[(Z)-N-amino-N-methyl-N'-(methylideneamino)carbamimidoyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 89174951) is N-[[(5S)-3-[4-[(Z)-N-amino-N-methyl-N'-(methylideneamino)carbamimidoyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[4-[(Z)-N-amino-N-methyl-N'-(methylideneamino)carbamimidoyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[4-[(Z)-N-amino-N-methyl-N'-(methylideneamino)carbamimidoyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is C=N/N=C(/c1ccc(N2C[C@H](CNC(C)=O)OC2=O)cc1F)N(C)N.
What is the InChIKey of N-[[(5S)-3-[4-[(Z)-N-amino-N-methyl-N'-(methylideneamino)carbamimidoyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is CDUXEFPUCSLOPJ-CJJSWDBDSA-N. The full InChI is InChI=1S/C15H19FN6O3/c1-9(23)19-7-11-8-22(15(24)25-11)10-4-5-12(13(16)6-10)14(20-18-2)21(3)17/h4-6,11H,2,7-8,17H2,1,3H3,(H,19,23)/b20-14-/t11-/m0/s1.
What are the key properties of N-[[(5S)-3-[4-[(Z)-N-amino-N-methyl-N'-(methylideneamino)carbamimidoyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[4-[(Z)-N-amino-N-methyl-N'-(methylideneamino)carbamimidoyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 350.35 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[4-[(Z)-N-amino-N-methyl-N'-(methylideneamino)carbamimidoyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 89174951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).