N-[[3-[3-fluoro-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C21H25FN4O3S — CID 10296473

IUPACN-[[3-[3-fluoro-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(N3CCN(Cc4cccs4)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C21H25FN4O3S/c1-15(27)23-12-17-13-26(21(28)29-17)16-4-5-20(19(22)11-16)25-8-6-24(7-9-25)14-18-3-2-10-30-18/h2-5,10-11,17H,6-9,12-14H2,1H3,(H,23,27)
InChIKeyZEROSNDUUKVDAW-UHFFFAOYSA-N
MW432.52 g/mol
LogP2.67
Rot. Bonds6

About N-[[3-[3-fluoro-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[3-[3-fluoro-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 10296473) has the molecular formula C21H25FN4O3S and a molecular weight of 432.52 g/mol. Its IUPAC name is N-[[3-[3-fluoro-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[3-fluoro-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID10296473
Molecular FormulaC21H25FN4O3S
Molecular Weight432.52 g/mol
Exact Mass432.16
IUPAC NameN-[[3-[3-fluoro-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(N3CCN(Cc4cccs4)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C21H25FN4O3S/c1-15(27)23-12-17-13-26(21(28)29-17)16-4-5-20(19(22)11-16)25-8-6-24(7-9-25)14-18-3-2-10-30-18/h2-5,10-11,17H,6-9,12-14H2,1H3,(H,23,27)
InChIKeyZEROSNDUUKVDAW-UHFFFAOYSA-N
XLogP2.67
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[[3-[3-fluoro-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[[3-[3-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 67226556
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-[[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-[[(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-[[3-[4-[4-(cyanomethyl)piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 21462595
N-[[(5S)-3-[4-(3,4-dihydroxypyrrolidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 86725189
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
N-[[(5S)-3-[3-fluoro-4-[4-[isocyano(thiophen-2-yl)methyl]piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 59754022
N-[[3-[3-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 21473386

Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-fluoro-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-[3-fluoro-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 10296473) is N-[[3-[3-fluoro-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-[3-fluoro-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-[3-fluoro-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCC1CN(c2ccc(N3CCN(Cc4cccs4)CC3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[3-[3-fluoro-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is ZEROSNDUUKVDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O3S/c1-15(27)23-12-17-13-26(21(28)29-17)16-4-5-20(19(22)11-16)25-8-6-24(7-9-25)14-18-3-2-10-30-18/h2-5,10-11,17H,6-9,12-14H2,1H3,(H,23,27).
What are the key properties of N-[[3-[3-fluoro-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[3-[3-fluoro-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 432.52 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[3-fluoro-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 10296473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).