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

C12H13FN2O3 — CID 11345751

IUPACN-[[(5S)-3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2cccc(F)c2)C(=O)O1
InChIInChI=1S/C12H13FN2O3/c1-8(16)14-6-11-7-15(12(17)18-11)10-4-2-3-9(13)5-10/h2-5,11H,6-7H2,1H3,(H,14,16)/t11-/m0/s1
InChIKeyRUKDAFXYNGLEBZ-NSHDSACASA-N
MW252.25 g/mol
LogP1.29
Rot. Bonds3

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

N-[[(5S)-3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 11345751) has the molecular formula C12H13FN2O3 and a molecular weight of 252.25 g/mol. Its IUPAC name is N-[[(5S)-3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID11345751
Molecular FormulaC12H13FN2O3
Molecular Weight252.25 g/mol
Exact Mass252.09
IUPAC NameN-[[(5S)-3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2cccc(F)c2)C(=O)O1
InChIInChI=1S/C12H13FN2O3/c1-8(16)14-6-11-7-15(12(17)18-11)10-4-2-3-9(13)5-10/h2-5,11H,6-7H2,1H3,(H,14,16)/t11-/m0/s1
InChIKeyRUKDAFXYNGLEBZ-NSHDSACASA-N
XLogP1.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 11345751) is N-[[(5S)-3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2cccc(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is RUKDAFXYNGLEBZ-NSHDSACASA-N. The full InChI is InChI=1S/C12H13FN2O3/c1-8(16)14-6-11-7-15(12(17)18-11)10-4-2-3-9(13)5-10/h2-5,11H,6-7H2,1H3,(H,14,16)/t11-/m0/s1.
What are the key properties of N-[[(5S)-3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 252.25 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 11345751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).