N-[[(5S)-3-[4-[(Z)-2-bromo-2-phenylethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C20H18BrFN2O3 — CID 10203140

IUPACN-[[(5S)-3-[4-[(Z)-2-bromo-2-phenylethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(/C=C(\Br)c3ccccc3)c(F)c2)C(=O)O1
InChIInChI=1S/C20H18BrFN2O3/c1-13(25)23-11-17-12-24(20(26)27-17)16-8-7-15(19(22)10-16)9-18(21)14-5-3-2-4-6-14/h2-10,17H,11-12H2,1H3,(H,23,25)/b18-9-/t17-/m0/s1
InChIKeyHIZCYYJQUDBHFG-NBPJVQFTSA-N
MW433.28 g/mol
LogP4.18
Rot. Bonds5

About N-[[(5S)-3-[4-[(Z)-2-bromo-2-phenylethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[4-[(Z)-2-bromo-2-phenylethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 10203140) has the molecular formula C20H18BrFN2O3 and a molecular weight of 433.28 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[(Z)-2-bromo-2-phenylethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[4-[(Z)-2-bromo-2-phenylethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID10203140
Molecular FormulaC20H18BrFN2O3
Molecular Weight433.28 g/mol
Exact Mass432.05
IUPAC NameN-[[(5S)-3-[4-[(Z)-2-bromo-2-phenylethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(/C=C(\Br)c3ccccc3)c(F)c2)C(=O)O1
InChIInChI=1S/C20H18BrFN2O3/c1-13(25)23-11-17-12-24(20(26)27-17)16-8-7-15(19(22)10-16)9-18(21)14-5-3-2-4-6-14/h2-10,17H,11-12H2,1H3,(H,23,25)/b18-9-/t17-/m0/s1
InChIKeyHIZCYYJQUDBHFG-NBPJVQFTSA-N
XLogP4.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.28
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-[(Z)-2-bromo-2-phenylethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[4-[(Z)-2-bromo-2-phenylethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 10203140) is N-[[(5S)-3-[4-[(Z)-2-bromo-2-phenylethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[4-[(Z)-2-bromo-2-phenylethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[4-[(Z)-2-bromo-2-phenylethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(/C=C(\Br)c3ccccc3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[4-[(Z)-2-bromo-2-phenylethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is HIZCYYJQUDBHFG-NBPJVQFTSA-N. The full InChI is InChI=1S/C20H18BrFN2O3/c1-13(25)23-11-17-12-24(20(26)27-17)16-8-7-15(19(22)10-16)9-18(21)14-5-3-2-4-6-14/h2-10,17H,11-12H2,1H3,(H,23,25)/b18-9-/t17-/m0/s1.
What are the key properties of N-[[(5S)-3-[4-[(Z)-2-bromo-2-phenylethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[4-[(Z)-2-bromo-2-phenylethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 433.28 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[4-[(Z)-2-bromo-2-phenylethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 10203140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).