N-[[(5S)-3-[3-fluoro-4-[4-[[5-[(E)-hydrazinylidenemethyl]furan-2-yl]methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C22H27FN6O4 — CID 10310622

IUPACN-[[(5S)-3-[3-fluoro-4-[4-[[5-[(E)-hydrazinylidenemethyl]furan-2-yl]methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(N3CCN(Cc4ccc(/C=N/N)o4)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C22H27FN6O4/c1-15(30)25-11-19-14-29(22(31)33-19)16-2-5-21(20(23)10-16)28-8-6-27(7-9-28)13-18-4-3-17(32-18)12-26-24/h2-5,10,12,19H,6-9,11,13-14,24H2,1H3,(H,25,30)/b26-12+/t19-/m0/s1
InChIKeyQQSCLPPGKNFGEN-XDWZDTHNSA-N
MW458.49 g/mol
LogP1.49
Rot. Bonds7

About N-[[(5S)-3-[3-fluoro-4-[4-[[5-[(E)-hydrazinylidenemethyl]furan-2-yl]methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[3-fluoro-4-[4-[[5-[(E)-hydrazinylidenemethyl]furan-2-yl]methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 10310622) has the molecular formula C22H27FN6O4 and a molecular weight of 458.49 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[4-[[5-[(E)-hydrazinylidenemethyl]furan-2-yl]methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-[4-[[5-[(E)-hydrazinylidenemethyl]furan-2-yl]methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID10310622
Molecular FormulaC22H27FN6O4
Molecular Weight458.49 g/mol
Exact Mass458.21
IUPAC NameN-[[(5S)-3-[3-fluoro-4-[4-[[5-[(E)-hydrazinylidenemethyl]furan-2-yl]methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(N3CCN(Cc4ccc(/C=N/N)o4)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C22H27FN6O4/c1-15(30)25-11-19-14-29(22(31)33-19)16-2-5-21(20(23)10-16)28-8-6-27(7-9-28)13-18-4-3-17(32-18)12-26-24/h2-5,10,12,19H,6-9,11,13-14,24H2,1H3,(H,25,30)/b26-12+/t19-/m0/s1
InChIKeyQQSCLPPGKNFGEN-XDWZDTHNSA-N
XLogP1.49
TPSA116.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.49
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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-[[5-(hydroxymethyl)furan-2-yl]methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 20726142
N-[[(5S)-3-[3-fluoro-4-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10224618
N-[[(5S)-3-[3-fluoro-4-[4-[[5-(methylaminomethyl)furan-2-yl]methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 146575781
N-[[(5S)-3-[4-[4-[(5-chlorofuran-2-yl)methyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10114868
N-[[(5S)-3-[4-[4-[[5-(1,3-dioxan-2-yl)furan-2-yl]methyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10207311
N-[[3-[3-fluoro-4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 21462598
N-[[3-[3-fluoro-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10296473
N-[[3-[4-[4-(cyanomethyl)piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 21462595
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-(3,4-dihydroxypyrrolidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 86725189
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
N-[[3-[3-fluoro-4-(1,5-thiazocan-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 126483722

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-[[5-[(E)-hydrazinylidenemethyl]furan-2-yl]methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-[[5-[(E)-hydrazinylidenemethyl]furan-2-yl]methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 10310622) is N-[[(5S)-3-[3-fluoro-4-[4-[[5-[(E)-hydrazinylidenemethyl]furan-2-yl]methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-[4-[[5-[(E)-hydrazinylidenemethyl]furan-2-yl]methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[4-[[5-[(E)-hydrazinylidenemethyl]furan-2-yl]methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(N3CCN(Cc4ccc(/C=N/N)o4)CC3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[4-[[5-[(E)-hydrazinylidenemethyl]furan-2-yl]methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is QQSCLPPGKNFGEN-XDWZDTHNSA-N. The full InChI is InChI=1S/C22H27FN6O4/c1-15(30)25-11-19-14-29(22(31)33-19)16-2-5-21(20(23)10-16)28-8-6-27(7-9-28)13-18-4-3-17(32-18)12-26-24/h2-5,10,12,19H,6-9,11,13-14,24H2,1H3,(H,25,30)/b26-12+/t19-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[4-[[5-[(E)-hydrazinylidenemethyl]furan-2-yl]methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-[4-[[5-[(E)-hydrazinylidenemethyl]furan-2-yl]methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 458.49 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-[4-[[5-[(E)-hydrazinylidenemethyl]furan-2-yl]methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 10310622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).