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

C26H27FN4O5 — CID 10239097

IUPACN-[[(5S)-3-[3-fluoro-4-[4-[(E)-4-oxo-4-phenylbut-2-enoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)/C=C/C(=O)c4ccccc4)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C26H27FN4O5/c1-18(32)28-16-21-17-31(26(35)36-21)20-7-8-23(22(27)15-20)29-11-13-30(14-12-29)25(34)10-9-24(33)19-5-3-2-4-6-19/h2-10,15,21H,11-14,16-17H2,1H3,(H,28,32)/b10-9+/t21-/m0/s1
InChIKeyPTZHYXGABXCUDQ-GLCJEOIMSA-N
MW494.52 g/mol
LogP2.37
Rot. Bonds7

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

N-[[(5S)-3-[3-fluoro-4-[4-[(E)-4-oxo-4-phenylbut-2-enoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 10239097) has the molecular formula C26H27FN4O5 and a molecular weight of 494.52 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[4-[(E)-4-oxo-4-phenylbut-2-enoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-[4-[(E)-4-oxo-4-phenylbut-2-enoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID10239097
Molecular FormulaC26H27FN4O5
Molecular Weight494.52 g/mol
Exact Mass494.20
IUPAC NameN-[[(5S)-3-[3-fluoro-4-[4-[(E)-4-oxo-4-phenylbut-2-enoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)/C=C/C(=O)c4ccccc4)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C26H27FN4O5/c1-18(32)28-16-21-17-31(26(35)36-21)20-7-8-23(22(27)15-20)29-11-13-30(14-12-29)25(34)10-9-24(33)19-5-3-2-4-6-19/h2-10,15,21H,11-14,16-17H2,1H3,(H,28,32)/b10-9+/t21-/m0/s1
InChIKeyPTZHYXGABXCUDQ-GLCJEOIMSA-N
XLogP2.37
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.52
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[[(5S)-3-[3-fluoro-4-[4-[(E)-4-oxo-4-phenylbut-2-enoyl]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-[(E)-4-oxo-4-phenylbut-2-enoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-[(E)-4-oxo-4-phenylbut-2-enoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 10239097) is N-[[(5S)-3-[3-fluoro-4-[4-[(E)-4-oxo-4-phenylbut-2-enoyl]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-[(E)-4-oxo-4-phenylbut-2-enoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[4-[(E)-4-oxo-4-phenylbut-2-enoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)/C=C/C(=O)c4ccccc4)CC3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[4-[(E)-4-oxo-4-phenylbut-2-enoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is PTZHYXGABXCUDQ-GLCJEOIMSA-N. The full InChI is InChI=1S/C26H27FN4O5/c1-18(32)28-16-21-17-31(26(35)36-21)20-7-8-23(22(27)15-20)29-11-13-30(14-12-29)25(34)10-9-24(33)19-5-3-2-4-6-19/h2-10,15,21H,11-14,16-17H2,1H3,(H,28,32)/b10-9+/t21-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[4-[(E)-4-oxo-4-phenylbut-2-enoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-[4-[(E)-4-oxo-4-phenylbut-2-enoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 494.52 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-[4-[(E)-4-oxo-4-phenylbut-2-enoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 10239097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).