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

C19H17BrFN3O3 — CID 10160027

IUPACN-[[(5S)-3-[4-[(Z)-2-bromo-2-pyridin-4-ylethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(/C=C(\Br)c3ccncc3)c(F)c2)C(=O)O1
InChIInChI=1S/C19H17BrFN3O3/c1-12(25)23-10-16-11-24(19(26)27-16)15-3-2-14(18(21)9-15)8-17(20)13-4-6-22-7-5-13/h2-9,16H,10-11H2,1H3,(H,23,25)/b17-8-/t16-/m0/s1
InChIKeyUKFWLERNCNEYNL-PDEJURLFSA-N
MW434.27 g/mol
LogP3.58
Rot. Bonds5

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

N-[[(5S)-3-[4-[(Z)-2-bromo-2-pyridin-4-ylethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 10160027) has the molecular formula C19H17BrFN3O3 and a molecular weight of 434.27 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[(Z)-2-bromo-2-pyridin-4-ylethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[4-[(Z)-2-bromo-2-pyridin-4-ylethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID10160027
Molecular FormulaC19H17BrFN3O3
Molecular Weight434.27 g/mol
Exact Mass433.04
IUPAC NameN-[[(5S)-3-[4-[(Z)-2-bromo-2-pyridin-4-ylethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(/C=C(\Br)c3ccncc3)c(F)c2)C(=O)O1
InChIInChI=1S/C19H17BrFN3O3/c1-12(25)23-10-16-11-24(19(26)27-16)15-3-2-14(18(21)9-15)8-17(20)13-4-6-22-7-5-13/h2-9,16H,10-11H2,1H3,(H,23,25)/b17-8-/t16-/m0/s1
InChIKeyUKFWLERNCNEYNL-PDEJURLFSA-N
XLogP3.58
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.27
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-[(Z)-2-bromo-2-pyridin-4-ylethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[4-[(Z)-2-bromo-2-pyridin-4-ylethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 10160027) is N-[[(5S)-3-[4-[(Z)-2-bromo-2-pyridin-4-ylethenyl]-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-pyridin-4-ylethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[4-[(Z)-2-bromo-2-pyridin-4-ylethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(/C=C(\Br)c3ccncc3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[4-[(Z)-2-bromo-2-pyridin-4-ylethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is UKFWLERNCNEYNL-PDEJURLFSA-N. The full InChI is InChI=1S/C19H17BrFN3O3/c1-12(25)23-10-16-11-24(19(26)27-16)15-3-2-14(18(21)9-15)8-17(20)13-4-6-22-7-5-13/h2-9,16H,10-11H2,1H3,(H,23,25)/b17-8-/t16-/m0/s1.
What are the key properties of N-[[(5S)-3-[4-[(Z)-2-bromo-2-pyridin-4-ylethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[4-[(Z)-2-bromo-2-pyridin-4-ylethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 434.27 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[4-[(Z)-2-bromo-2-pyridin-4-ylethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 10160027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).