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

C21H24FN5O4S — CID 10479425

IUPACN-[[(5S)-3-[3-fluoro-4-[4-(2-methyl-1,3-oxazole-5-carbothioyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=S)c4cnc(C)o4)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C21H24FN5O4S/c1-13(28)23-10-16-12-27(21(29)31-16)15-3-4-18(17(22)9-15)25-5-7-26(8-6-25)20(32)19-11-24-14(2)30-19/h3-4,9,11,16H,5-8,10,12H2,1-2H3,(H,23,28)/t16-/m0/s1
InChIKeyJERLRJGTXXNBPE-INIZCTEOSA-N
MW461.52 g/mol
LogP2.08
Rot. Bonds5

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

N-[[(5S)-3-[3-fluoro-4-[4-(2-methyl-1,3-oxazole-5-carbothioyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 10479425) has the molecular formula C21H24FN5O4S and a molecular weight of 461.52 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[4-(2-methyl-1,3-oxazole-5-carbothioyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-[4-(2-methyl-1,3-oxazole-5-carbothioyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID10479425
Molecular FormulaC21H24FN5O4S
Molecular Weight461.52 g/mol
Exact Mass461.15
IUPAC NameN-[[(5S)-3-[3-fluoro-4-[4-(2-methyl-1,3-oxazole-5-carbothioyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=S)c4cnc(C)o4)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C21H24FN5O4S/c1-13(28)23-10-16-12-27(21(29)31-16)15-3-4-18(17(22)9-15)25-5-7-26(8-6-25)20(32)19-11-24-14(2)30-19/h3-4,9,11,16H,5-8,10,12H2,1-2H3,(H,23,28)/t16-/m0/s1
InChIKeyJERLRJGTXXNBPE-INIZCTEOSA-N
XLogP2.08
TPSA91.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[[(5S)-3-[3-fluoro-4-[4-(2-methyl-1,3-oxazole-5-carbothioyl)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

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-(2-methyl-1,3-oxazole-5-carbothioyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-(2-methyl-1,3-oxazole-5-carbothioyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 10479425) is N-[[(5S)-3-[3-fluoro-4-[4-(2-methyl-1,3-oxazole-5-carbothioyl)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-(2-methyl-1,3-oxazole-5-carbothioyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[4-(2-methyl-1,3-oxazole-5-carbothioyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=S)c4cnc(C)o4)CC3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[4-(2-methyl-1,3-oxazole-5-carbothioyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is JERLRJGTXXNBPE-INIZCTEOSA-N. The full InChI is InChI=1S/C21H24FN5O4S/c1-13(28)23-10-16-12-27(21(29)31-16)15-3-4-18(17(22)9-15)25-5-7-26(8-6-25)20(32)19-11-24-14(2)30-19/h3-4,9,11,16H,5-8,10,12H2,1-2H3,(H,23,28)/t16-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[4-(2-methyl-1,3-oxazole-5-carbothioyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-[4-(2-methyl-1,3-oxazole-5-carbothioyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 461.52 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-[4-(2-methyl-1,3-oxazole-5-carbothioyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 10479425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).