(Z)-N-[[(5S)-3-(3-fluoro-4-piperidin-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxo-4-phenylbut-2-enamide

C25H26FN3O4 — CID 10366553

IUPAC(Z)-N-[[(5S)-3-(3-fluoro-4-piperidin-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxo-4-phenylbut-2-enamide
SMILESO=C(/C=C\C(=O)c1ccccc1)NC[C@H]1CN(c2ccc(N3CCCCC3)c(F)c2)C(=O)O1
InChIInChI=1S/C25H26FN3O4/c26-21-15-19(9-10-22(21)28-13-5-2-6-14-28)29-17-20(33-25(29)32)16-27-24(31)12-11-23(30)18-7-3-1-4-8-18/h1,3-4,7-12,15,20H,2,5-6,13-14,16-17H2,(H,27,31)/b12-11-/t20-/m0/s1
InChIKeyUDWAMYIWGDQFIX-DUQGCJEPSA-N
MW451.50 g/mol
LogP3.70
Rot. Bonds7

About (Z)-N-[[(5S)-3-(3-fluoro-4-piperidin-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxo-4-phenylbut-2-enamide

(Z)-N-[[(5S)-3-(3-fluoro-4-piperidin-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxo-4-phenylbut-2-enamide (PubChem CID 10366553) has the molecular formula C25H26FN3O4 and a molecular weight of 451.50 g/mol. Its IUPAC name is (Z)-N-[[(5S)-3-(3-fluoro-4-piperidin-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxo-4-phenylbut-2-enamide.

Molecular Properties

Compound Name(Z)-N-[[(5S)-3-(3-fluoro-4-piperidin-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxo-4-phenylbut-2-enamide
PubChem CID10366553
Molecular FormulaC25H26FN3O4
Molecular Weight451.50 g/mol
Exact Mass451.19
IUPAC Name(Z)-N-[[(5S)-3-(3-fluoro-4-piperidin-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxo-4-phenylbut-2-enamide
SMILESO=C(/C=C\C(=O)c1ccccc1)NC[C@H]1CN(c2ccc(N3CCCCC3)c(F)c2)C(=O)O1
InChIInChI=1S/C25H26FN3O4/c26-21-15-19(9-10-22(21)28-13-5-2-6-14-28)29-17-20(33-25(29)32)16-27-24(31)12-11-23(30)18-7-3-1-4-8-18/h1,3-4,7-12,15,20H,2,5-6,13-14,16-17H2,(H,27,31)/b12-11-/t20-/m0/s1
InChIKeyUDWAMYIWGDQFIX-DUQGCJEPSA-N
XLogP3.70
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (Z)-N-[[(5S)-3-(3-fluoro-4-piperidin-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxo-4-phenylbut-2-enamide with MolForge

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Related Compounds

(Z)-N-[[(5S)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-naphthalen-2-yl-4-oxobut-2-enamide
CID 10459310
N-[[(5S)-3-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylcarbamothioyl]benzamide
CID 10575194
N-[[3-[3-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 67226556
1-[[(5S)-3-(3-fluoro-4-piperidin-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-methylthiourea
CID 139799553
N-[[3-(3-fluoro-4-piperidin-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxo-4-[4-(sulfanylmethyl)phenyl]butanamide
CID 85097039
N-[[(5S)-3-[4-[4-[(E)-4-(4-bromophenyl)-4-oxobut-2-enoyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10153091
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-[4-(2-fluorophenyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 142669207
N-[[(5S)-3-(3-fluoro-4-piperidin-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide
CID 6482336
N-[[(5S)-3-[3-fluoro-4-[4-[(E)-4-(4-methoxyphenyl)-4-oxobut-2-enoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 10174919
2-amino-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10338067
2-bromo-N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58901427

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[[(5S)-3-(3-fluoro-4-piperidin-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxo-4-phenylbut-2-enamide?
The IUPAC name of (Z)-N-[[(5S)-3-(3-fluoro-4-piperidin-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxo-4-phenylbut-2-enamide (CID 10366553) is (Z)-N-[[(5S)-3-(3-fluoro-4-piperidin-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxo-4-phenylbut-2-enamide.
What is the SMILES notation for (Z)-N-[[(5S)-3-(3-fluoro-4-piperidin-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxo-4-phenylbut-2-enamide?
The canonical SMILES for (Z)-N-[[(5S)-3-(3-fluoro-4-piperidin-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxo-4-phenylbut-2-enamide is O=C(/C=C\C(=O)c1ccccc1)NC[C@H]1CN(c2ccc(N3CCCCC3)c(F)c2)C(=O)O1.
What is the InChIKey of (Z)-N-[[(5S)-3-(3-fluoro-4-piperidin-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxo-4-phenylbut-2-enamide?
The InChIKey is UDWAMYIWGDQFIX-DUQGCJEPSA-N. The full InChI is InChI=1S/C25H26FN3O4/c26-21-15-19(9-10-22(21)28-13-5-2-6-14-28)29-17-20(33-25(29)32)16-27-24(31)12-11-23(30)18-7-3-1-4-8-18/h1,3-4,7-12,15,20H,2,5-6,13-14,16-17H2,(H,27,31)/b12-11-/t20-/m0/s1.
What are the key properties of (Z)-N-[[(5S)-3-(3-fluoro-4-piperidin-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxo-4-phenylbut-2-enamide?
(Z)-N-[[(5S)-3-(3-fluoro-4-piperidin-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxo-4-phenylbut-2-enamide has a molecular weight of 451.50 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[[(5S)-3-(3-fluoro-4-piperidin-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxo-4-phenylbut-2-enamide is sourced from PubChem (CID 10366553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).