N-[[(5S)-3-[3-fluoro-4-(2-oxooxan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C17H19FN2O5 — CID 70207464

IUPACN-[[(5S)-3-[3-fluoro-4-(2-oxooxan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(C3CCOC(=O)C3)c(F)c2)C(=O)O1
InChIInChI=1S/C17H19FN2O5/c1-10(21)19-8-13-9-20(17(23)25-13)12-2-3-14(15(18)7-12)11-4-5-24-16(22)6-11/h2-3,7,11,13H,4-6,8-9H2,1H3,(H,19,21)/t11?,13-/m0/s1
InChIKeyAQGNPVAQFCVKSY-YUZLPWPTSA-N
MW350.35 g/mol
LogP1.71
Rot. Bonds4

About N-[[(5S)-3-[3-fluoro-4-(2-oxooxan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[3-fluoro-4-(2-oxooxan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 70207464) has the molecular formula C17H19FN2O5 and a molecular weight of 350.35 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-(2-oxooxan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-(2-oxooxan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID70207464
Molecular FormulaC17H19FN2O5
Molecular Weight350.35 g/mol
Exact Mass350.13
IUPAC NameN-[[(5S)-3-[3-fluoro-4-(2-oxooxan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(C3CCOC(=O)C3)c(F)c2)C(=O)O1
InChIInChI=1S/C17H19FN2O5/c1-10(21)19-8-13-9-20(17(23)25-13)12-2-3-14(15(18)7-12)11-4-5-24-16(22)6-11/h2-3,7,11,13H,4-6,8-9H2,1H3,(H,19,21)/t11?,13-/m0/s1
InChIKeyAQGNPVAQFCVKSY-YUZLPWPTSA-N
XLogP1.71
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-(2-oxooxan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-(2-oxooxan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 70207464) is N-[[(5S)-3-[3-fluoro-4-(2-oxooxan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-(2-oxooxan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-(2-oxooxan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(C3CCOC(=O)C3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-(2-oxooxan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is AQGNPVAQFCVKSY-YUZLPWPTSA-N. The full InChI is InChI=1S/C17H19FN2O5/c1-10(21)19-8-13-9-20(17(23)25-13)12-2-3-14(15(18)7-12)11-4-5-24-16(22)6-11/h2-3,7,11,13H,4-6,8-9H2,1H3,(H,19,21)/t11?,13-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-(2-oxooxan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-(2-oxooxan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 350.35 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-(2-oxooxan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 70207464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).