N-[[(5S)-3-[3-(2-fluoroethoxyimino)-4-methyl-1,4-benzoxazin-7-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C17H21FN4O5 — CID 173214261

IUPACN-[[(5S)-3-[3-(2-fluoroethoxyimino)-4-methyl-1,4-benzoxazin-7-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc3c(c2)OCC(=NOCCF)N3C)C(=O)O1
InChIInChI=1S/C17H21FN4O5/c1-11(23)19-8-13-9-22(17(24)27-13)12-3-4-14-15(7-12)25-10-16(21(14)2)20-26-6-5-18/h3-4,7,13H,5-6,8-10H2,1-2H3,(H,19,23)/t13-/m0/s1
InChIKeyJKLLPWDYFHGKDG-ZDUSSCGKSA-N
MW380.38 g/mol
LogP1.28
Rot. Bonds6

About N-[[(5S)-3-[3-(2-fluoroethoxyimino)-4-methyl-1,4-benzoxazin-7-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[3-(2-fluoroethoxyimino)-4-methyl-1,4-benzoxazin-7-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 173214261) has the molecular formula C17H21FN4O5 and a molecular weight of 380.38 g/mol. Its IUPAC name is N-[[(5S)-3-[3-(2-fluoroethoxyimino)-4-methyl-1,4-benzoxazin-7-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-(2-fluoroethoxyimino)-4-methyl-1,4-benzoxazin-7-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID173214261
Molecular FormulaC17H21FN4O5
Molecular Weight380.38 g/mol
Exact Mass380.15
IUPAC NameN-[[(5S)-3-[3-(2-fluoroethoxyimino)-4-methyl-1,4-benzoxazin-7-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc3c(c2)OCC(=NOCCF)N3C)C(=O)O1
InChIInChI=1S/C17H21FN4O5/c1-11(23)19-8-13-9-22(17(24)27-13)12-3-4-14-15(7-12)25-10-16(21(14)2)20-26-6-5-18/h3-4,7,13H,5-6,8-10H2,1-2H3,(H,19,23)/t13-/m0/s1
InChIKeyJKLLPWDYFHGKDG-ZDUSSCGKSA-N
XLogP1.28
TPSA92.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 85417223
N-[[(5S)-3-(4-ethyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 57030886
N-[[3-[1-(2-fluoroethyl)-2-oxo-3H-indol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
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CID 86725189
N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 20666078
N-[[(5S)-3-[3-fluoro-4-(3-methoxyazetidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15381194
N-[[(5S)-3-[3-fluoro-4-(2-hydroxyethylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15433046
N-[[(5S)-3-[(2R)-2-(fluoromethyl)-1-formyl-2,3-dihydroindol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 18740897
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
methyl N-[[3-(2-methoxyimino-1-methyl-3,4-dihydroquinolin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 72791269
N-[[(5S)-3-[4-[(3S,4R)-3,4-dihydroxypiperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 59994592

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-(2-fluoroethoxyimino)-4-methyl-1,4-benzoxazin-7-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-(2-fluoroethoxyimino)-4-methyl-1,4-benzoxazin-7-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 173214261) is N-[[(5S)-3-[3-(2-fluoroethoxyimino)-4-methyl-1,4-benzoxazin-7-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-(2-fluoroethoxyimino)-4-methyl-1,4-benzoxazin-7-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-(2-fluoroethoxyimino)-4-methyl-1,4-benzoxazin-7-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc3c(c2)OCC(=NOCCF)N3C)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-(2-fluoroethoxyimino)-4-methyl-1,4-benzoxazin-7-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is JKLLPWDYFHGKDG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21FN4O5/c1-11(23)19-8-13-9-22(17(24)27-13)12-3-4-14-15(7-12)25-10-16(21(14)2)20-26-6-5-18/h3-4,7,13H,5-6,8-10H2,1-2H3,(H,19,23)/t13-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-(2-fluoroethoxyimino)-4-methyl-1,4-benzoxazin-7-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-(2-fluoroethoxyimino)-4-methyl-1,4-benzoxazin-7-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 380.38 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-(2-fluoroethoxyimino)-4-methyl-1,4-benzoxazin-7-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 173214261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).