N-[[(5S)-3-[3-fluoro-4-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C17H19FN2O4 — CID 11221306

IUPACN-[[(5S)-3-[3-fluoro-4-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(C3[C@H]4COC[C@@H]34)c(F)c2)C(=O)O1
InChIInChI=1S/C17H19FN2O4/c1-9(21)19-5-11-6-20(17(22)24-11)10-2-3-12(15(18)4-10)16-13-7-23-8-14(13)16/h2-4,11,13-14,16H,5-8H2,1H3,(H,19,21)/t11-,13-,14+,16?/m0/s1
InChIKeyILPVDZNWQCWDAI-CLJRNHLWSA-N
MW334.35 g/mol
LogP1.65
Rot. Bonds4

About N-[[(5S)-3-[3-fluoro-4-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[3-fluoro-4-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 11221306) has the molecular formula C17H19FN2O4 and a molecular weight of 334.35 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID11221306
Molecular FormulaC17H19FN2O4
Molecular Weight334.35 g/mol
Exact Mass334.13
IUPAC NameN-[[(5S)-3-[3-fluoro-4-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(C3[C@H]4COC[C@@H]34)c(F)c2)C(=O)O1
InChIInChI=1S/C17H19FN2O4/c1-9(21)19-5-11-6-20(17(22)24-11)10-2-3-12(15(18)4-10)16-13-7-23-8-14(13)16/h2-4,11,13-14,16H,5-8H2,1H3,(H,19,21)/t11-,13-,14+,16?/m0/s1
InChIKeyILPVDZNWQCWDAI-CLJRNHLWSA-N
XLogP1.65
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(5S)-3-[3-fluoro-4-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 11221306) is N-[[(5S)-3-[3-fluoro-4-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(C3[C@H]4COC[C@@H]34)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is ILPVDZNWQCWDAI-CLJRNHLWSA-N. The full InChI is InChI=1S/C17H19FN2O4/c1-9(21)19-5-11-6-20(17(22)24-11)10-2-3-12(15(18)4-10)16-13-7-23-8-14(13)16/h2-4,11,13-14,16H,5-8H2,1H3,(H,19,21)/t11-,13-,14+,16?/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 334.35 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 11221306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).