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

C16H16FN3O3 — CID 5273690

IUPACN-[[(5S)-3-[1-(4-fluorophenyl)pyrrol-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccn(-c3ccc(F)cc3)c2)C(=O)O1
InChIInChI=1S/C16H16FN3O3/c1-11(21)18-8-15-10-20(16(22)23-15)14-6-7-19(9-14)13-4-2-12(17)3-5-13/h2-7,9,15H,8,10H2,1H3,(H,18,21)/t15-/m0/s1
InChIKeyLOYZCAHFCSOARJ-HNNXBMFYSA-N
MW317.32 g/mol
LogP2.08
Rot. Bonds4

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

N-[[(5S)-3-[1-(4-fluorophenyl)pyrrol-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 5273690) has the molecular formula C16H16FN3O3 and a molecular weight of 317.32 g/mol. Its IUPAC name is N-[[(5S)-3-[1-(4-fluorophenyl)pyrrol-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[1-(4-fluorophenyl)pyrrol-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID5273690
Molecular FormulaC16H16FN3O3
Molecular Weight317.32 g/mol
Exact Mass317.12
IUPAC NameN-[[(5S)-3-[1-(4-fluorophenyl)pyrrol-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccn(-c3ccc(F)cc3)c2)C(=O)O1
InChIInChI=1S/C16H16FN3O3/c1-11(21)18-8-15-10-20(16(22)23-15)14-6-7-19(9-14)13-4-2-12(17)3-5-13/h2-7,9,15H,8,10H2,1H3,(H,18,21)/t15-/m0/s1
InChIKeyLOYZCAHFCSOARJ-HNNXBMFYSA-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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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[1-(4-fluorophenyl)pyrrol-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[1-(4-fluorophenyl)pyrrol-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 5273690) is N-[[(5S)-3-[1-(4-fluorophenyl)pyrrol-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[1-(4-fluorophenyl)pyrrol-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[1-(4-fluorophenyl)pyrrol-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccn(-c3ccc(F)cc3)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[1-(4-fluorophenyl)pyrrol-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is LOYZCAHFCSOARJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H16FN3O3/c1-11(21)18-8-15-10-20(16(22)23-15)14-6-7-19(9-14)13-4-2-12(17)3-5-13/h2-7,9,15H,8,10H2,1H3,(H,18,21)/t15-/m0/s1.
What are the key properties of N-[[(5S)-3-[1-(4-fluorophenyl)pyrrol-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[1-(4-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-(4-fluorophenyl)pyrrol-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 5273690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).