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

C16H16FN3O3 — CID 5273688

IUPACN-[[(5S)-3-[1-(2-fluorophenyl)pyrrol-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccn(-c3ccccc3F)c2)C(=O)O1
InChIInChI=1S/C16H16FN3O3/c1-11(21)18-8-13-10-20(16(22)23-13)12-6-7-19(9-12)15-5-3-2-4-14(15)17/h2-7,9,13H,8,10H2,1H3,(H,18,21)/t13-/m0/s1
InChIKeyLKFLQICFLNZVLV-ZDUSSCGKSA-N
MW317.32 g/mol
LogP2.08
Rot. Bonds4

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

N-[[(5S)-3-[1-(2-fluorophenyl)pyrrol-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 5273688) has the molecular formula C16H16FN3O3 and a molecular weight of 317.32 g/mol. Its IUPAC name is N-[[(5S)-3-[1-(2-fluorophenyl)pyrrol-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[1-(2-fluorophenyl)pyrrol-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID5273688
Molecular FormulaC16H16FN3O3
Molecular Weight317.32 g/mol
Exact Mass317.12
IUPAC NameN-[[(5S)-3-[1-(2-fluorophenyl)pyrrol-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccn(-c3ccccc3F)c2)C(=O)O1
InChIInChI=1S/C16H16FN3O3/c1-11(21)18-8-13-10-20(16(22)23-13)12-6-7-19(9-12)15-5-3-2-4-14(15)17/h2-7,9,13H,8,10H2,1H3,(H,18,21)/t13-/m0/s1
InChIKeyLKFLQICFLNZVLV-ZDUSSCGKSA-N
XLogP2.08
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[1-(2-fluorophenyl)pyrrol-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[1-(2-fluorophenyl)pyrrol-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 5273688) is N-[[(5S)-3-[1-(2-fluorophenyl)pyrrol-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[1-(2-fluorophenyl)pyrrol-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[1-(2-fluorophenyl)pyrrol-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccn(-c3ccccc3F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[1-(2-fluorophenyl)pyrrol-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is LKFLQICFLNZVLV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H16FN3O3/c1-11(21)18-8-13-10-20(16(22)23-13)12-6-7-19(9-12)15-5-3-2-4-14(15)17/h2-7,9,13H,8,10H2,1H3,(H,18,21)/t13-/m0/s1.
What are the key properties of N-[[(5S)-3-[1-(2-fluorophenyl)pyrrol-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[1-(2-fluorophenyl)pyrrol-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 317.32 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[1-(2-fluorophenyl)pyrrol-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 5273688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).