N-[[(5S)-3-[4-[(E)-3-(3-fluorophenyl)-3-oxoprop-1-enyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C21H19FN2O4 — CID 16655160

IUPACN-[[(5S)-3-[4-[(E)-3-(3-fluorophenyl)-3-oxoprop-1-enyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(/C=C/C(=O)c3cccc(F)c3)cc2)C(=O)O1
InChIInChI=1S/C21H19FN2O4/c1-14(25)23-12-19-13-24(21(27)28-19)18-8-5-15(6-9-18)7-10-20(26)16-3-2-4-17(22)11-16/h2-11,19H,12-13H2,1H3,(H,23,25)/b10-7+/t19-/m0/s1
InChIKeyLGHHKRNDNZAVEK-VQFGERMISA-N
MW382.39 g/mol
LogP3.18
Rot. Bonds6

About N-[[(5S)-3-[4-[(E)-3-(3-fluorophenyl)-3-oxoprop-1-enyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[4-[(E)-3-(3-fluorophenyl)-3-oxoprop-1-enyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 16655160) has the molecular formula C21H19FN2O4 and a molecular weight of 382.39 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[(E)-3-(3-fluorophenyl)-3-oxoprop-1-enyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[4-[(E)-3-(3-fluorophenyl)-3-oxoprop-1-enyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID16655160
Molecular FormulaC21H19FN2O4
Molecular Weight382.39 g/mol
Exact Mass382.13
IUPAC NameN-[[(5S)-3-[4-[(E)-3-(3-fluorophenyl)-3-oxoprop-1-enyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(/C=C/C(=O)c3cccc(F)c3)cc2)C(=O)O1
InChIInChI=1S/C21H19FN2O4/c1-14(25)23-12-19-13-24(21(27)28-19)18-8-5-15(6-9-18)7-10-20(26)16-3-2-4-17(22)11-16/h2-11,19H,12-13H2,1H3,(H,23,25)/b10-7+/t19-/m0/s1
InChIKeyLGHHKRNDNZAVEK-VQFGERMISA-N
XLogP3.18
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-[(E)-3-(3-fluorophenyl)-3-oxoprop-1-enyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[4-[(E)-3-(3-fluorophenyl)-3-oxoprop-1-enyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 16655160) is N-[[(5S)-3-[4-[(E)-3-(3-fluorophenyl)-3-oxoprop-1-enyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[4-[(E)-3-(3-fluorophenyl)-3-oxoprop-1-enyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[4-[(E)-3-(3-fluorophenyl)-3-oxoprop-1-enyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(/C=C/C(=O)c3cccc(F)c3)cc2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[4-[(E)-3-(3-fluorophenyl)-3-oxoprop-1-enyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is LGHHKRNDNZAVEK-VQFGERMISA-N. The full InChI is InChI=1S/C21H19FN2O4/c1-14(25)23-12-19-13-24(21(27)28-19)18-8-5-15(6-9-18)7-10-20(26)16-3-2-4-17(22)11-16/h2-11,19H,12-13H2,1H3,(H,23,25)/b10-7+/t19-/m0/s1.
What are the key properties of N-[[(5S)-3-[4-[(E)-3-(3-fluorophenyl)-3-oxoprop-1-enyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[4-[(E)-3-(3-fluorophenyl)-3-oxoprop-1-enyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 382.39 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[4-[(E)-3-(3-fluorophenyl)-3-oxoprop-1-enyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 16655160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).