N-[[3-[3-fluoro-4-[4-[2-(methoxymethoxy)ethoxyimino]piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C21H29FN4O6 — CID 22913016

IUPACN-[[3-[3-fluoro-4-[4-[2-(methoxymethoxy)ethoxyimino]piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCOCOCCON=C1CCN(c2ccc(N3CC(CNC(C)=O)OC3=O)cc2F)CC1
InChIInChI=1S/C21H29FN4O6/c1-15(27)23-12-18-13-26(21(28)32-18)17-3-4-20(19(22)11-17)25-7-5-16(6-8-25)24-31-10-9-30-14-29-2/h3-4,11,18H,5-10,12-14H2,1-2H3,(H,23,27)
InChIKeyDHBHKZCJGSPZBU-UHFFFAOYSA-N
MW452.48 g/mol
LogP1.88
Rot. Bonds10

About N-[[3-[3-fluoro-4-[4-[2-(methoxymethoxy)ethoxyimino]piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[3-[3-fluoro-4-[4-[2-(methoxymethoxy)ethoxyimino]piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 22913016) has the molecular formula C21H29FN4O6 and a molecular weight of 452.48 g/mol. Its IUPAC name is N-[[3-[3-fluoro-4-[4-[2-(methoxymethoxy)ethoxyimino]piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[3-fluoro-4-[4-[2-(methoxymethoxy)ethoxyimino]piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID22913016
Molecular FormulaC21H29FN4O6
Molecular Weight452.48 g/mol
Exact Mass452.21
IUPAC NameN-[[3-[3-fluoro-4-[4-[2-(methoxymethoxy)ethoxyimino]piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCOCOCCON=C1CCN(c2ccc(N3CC(CNC(C)=O)OC3=O)cc2F)CC1
InChIInChI=1S/C21H29FN4O6/c1-15(27)23-12-18-13-26(21(28)32-18)17-3-4-20(19(22)11-17)25-7-5-16(6-8-25)24-31-10-9-30-14-29-2/h3-4,11,18H,5-10,12-14H2,1-2H3,(H,23,27)
InChIKeyDHBHKZCJGSPZBU-UHFFFAOYSA-N
XLogP1.88
TPSA101.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.48
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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

N-[[3-[3-fluoro-4-[4-(1,2,4-triazol-4-ylimino)piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22913066
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-[(1S,5R)-6-[(E)-2-methoxyethoxyiminomethyl]-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10296600
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-[(3S,4Z)-3-hydroxy-4-hydroxyiminopiperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 59994648
N-[[3-[3-fluoro-4-[3-(methoxymethylidene)azetidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 70197464
N-[[3-[3-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 21473386
N-[[3-[3-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 67226556
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-[[3-[3-fluoro-4-(1,5-thiazocan-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 126483722
N-[[(5S)-3-[3-fluoro-4-(2,2,6,6-tetradeuteriomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;methane
CID 158186766

Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-fluoro-4-[4-[2-(methoxymethoxy)ethoxyimino]piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-[3-fluoro-4-[4-[2-(methoxymethoxy)ethoxyimino]piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 22913016) is N-[[3-[3-fluoro-4-[4-[2-(methoxymethoxy)ethoxyimino]piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-[3-fluoro-4-[4-[2-(methoxymethoxy)ethoxyimino]piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-[3-fluoro-4-[4-[2-(methoxymethoxy)ethoxyimino]piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is COCOCCON=C1CCN(c2ccc(N3CC(CNC(C)=O)OC3=O)cc2F)CC1.
What is the InChIKey of N-[[3-[3-fluoro-4-[4-[2-(methoxymethoxy)ethoxyimino]piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is DHBHKZCJGSPZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN4O6/c1-15(27)23-12-18-13-26(21(28)32-18)17-3-4-20(19(22)11-17)25-7-5-16(6-8-25)24-31-10-9-30-14-29-2/h3-4,11,18H,5-10,12-14H2,1-2H3,(H,23,27).
What are the key properties of N-[[3-[3-fluoro-4-[4-[2-(methoxymethoxy)ethoxyimino]piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[3-[3-fluoro-4-[4-[2-(methoxymethoxy)ethoxyimino]piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 452.48 g/mol, XLogP of 1.88, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[3-fluoro-4-[4-[2-(methoxymethoxy)ethoxyimino]piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 22913016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).