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

C16H16FN3O3 — CID 10591562

IUPACN-[[(5S)-3-(3-fluoro-4-pyrrol-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-n3cccc3)c(F)c2)C(=O)O1
InChIInChI=1S/C16H16FN3O3/c1-11(21)18-9-13-10-20(16(22)23-13)12-4-5-15(14(17)8-12)19-6-2-3-7-19/h2-8,13H,9-10H2,1H3,(H,18,21)/t13-/m0/s1
InChIKeyGEUNXDRAMBSLSX-ZDUSSCGKSA-N
MW317.32 g/mol
LogP2.08
Rot. Bonds4

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

N-[[(5S)-3-(3-fluoro-4-pyrrol-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 10591562) has the molecular formula C16H16FN3O3 and a molecular weight of 317.32 g/mol. Its IUPAC name is N-[[(5S)-3-(3-fluoro-4-pyrrol-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-(3-fluoro-4-pyrrol-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID10591562
Molecular FormulaC16H16FN3O3
Molecular Weight317.32 g/mol
Exact Mass317.12
IUPAC NameN-[[(5S)-3-(3-fluoro-4-pyrrol-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-n3cccc3)c(F)c2)C(=O)O1
InChIInChI=1S/C16H16FN3O3/c1-11(21)18-9-13-10-20(16(22)23-13)12-4-5-15(14(17)8-12)19-6-2-3-7-19/h2-8,13H,9-10H2,1H3,(H,18,21)/t13-/m0/s1
InChIKeyGEUNXDRAMBSLSX-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

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Related Compounds

N-[[(5S)-3-[1-(3-fluorophenyl)pyrrol-3-yl]-2-oxo-oxazolidin-5-yl]methyl]acetamide
CID 5273689
N-[[(5S)-3-[1-(4-fluorophenyl)pyrrol-3-yl]-2-oxo-oxazolidin-5-yl]methyl]acetamide
CID 5273690
N-{(S)-3-[3-Fluoro-4-((E)-2-pyridin-3-yl-vinyl)-phenyl]-2-oxo-oxazolidin-5-ylmethyl}-acetamide
CID 9968540
N-{(S)-3-[3-Fluoro-4-((Z)-2-fluoro-2-pyridin-3-yl-vinyl)-phenyl]-2-oxo-oxazolidin-5-ylmethyl}-acetamide
CID 10156178
N-[[(5S)-3-[4-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 9864154
N-[[(5S)-3-[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 9885692
N-[2-Oxo-3-(1-phenyl-1H-pyrrol-3-yl)-oxazolidin-5-ylmethyl]-acetamide
CID 5273687
N-[[(5S)-3-[1-(2-fluorophenyl)pyrrol-3-yl]-2-oxo-oxazolidin-5-yl]methyl]acetamide
CID 5273688
N-[[(5S)-3-[1-(3-fluoro-4-morpholino-phenyl)pyrrol-3-yl]-2-oxo-oxazolidin-5-yl]methyl]acetamide
CID 5273691
N-[[(5S)-3-[1-(3-fluoro-4-thiomorpholino-phenyl)pyrrol-3-yl]-2-oxo-oxazolidin-5-yl]methyl]acetamide
CID 5273692
N-[[(5S)-3-[4-(3-cyanopyrrol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 9906028
N-[[(5S)-3-[3-fluoro-4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 9801837

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-(3-fluoro-4-pyrrol-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-(3-fluoro-4-pyrrol-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 10591562) is N-[[(5S)-3-(3-fluoro-4-pyrrol-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-(3-fluoro-4-pyrrol-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-(3-fluoro-4-pyrrol-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-n3cccc3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-(3-fluoro-4-pyrrol-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is GEUNXDRAMBSLSX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H16FN3O3/c1-11(21)18-9-13-10-20(16(22)23-13)12-4-5-15(14(17)8-12)19-6-2-3-7-19/h2-8,13H,9-10H2,1H3,(H,18,21)/t13-/m0/s1.
What are the key properties of N-[[(5S)-3-(3-fluoro-4-pyrrol-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-(3-fluoro-4-pyrrol-1-ylphenyl)-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-(3-fluoro-4-pyrrol-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 10591562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).