5-[5-[(4R,5R)-5-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-4-yl]-3-pyridinyl]pyridine-3-carbonitrile

C20H13FN4O2 — CID 70958434

IUPAC5-[5-[(4R,5R)-5-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-4-yl]-3-pyridinyl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2cncc([C@H]3NC(=O)O[C@@H]3c3cccc(F)c3)c2)c1
InChIInChI=1S/C20H13FN4O2/c21-17-3-1-2-13(6-17)19-18(25-20(26)27-19)16-5-15(10-24-11-16)14-4-12(7-22)8-23-9-14/h1-6,8-11,18-19H,(H,25,26)/t18-,19-/m1/s1
InChIKeyLNRKVNMYHJTDGF-RTBURBONSA-N
MW360.35 g/mol
LogP3.68
Rot. Bonds3

About 5-[5-[(4R,5R)-5-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-4-yl]-3-pyridinyl]pyridine-3-carbonitrile

5-[5-[(4R,5R)-5-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-4-yl]-3-pyridinyl]pyridine-3-carbonitrile (PubChem CID 70958434) has the molecular formula C20H13FN4O2 and a molecular weight of 360.35 g/mol. Its IUPAC name is 5-[5-[(4R,5R)-5-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-4-yl]-3-pyridinyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[5-[(4R,5R)-5-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-4-yl]-3-pyridinyl]pyridine-3-carbonitrile
PubChem CID70958434
Molecular FormulaC20H13FN4O2
Molecular Weight360.35 g/mol
Exact Mass360.10
IUPAC Name5-[5-[(4R,5R)-5-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-4-yl]-3-pyridinyl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2cncc([C@H]3NC(=O)O[C@@H]3c3cccc(F)c3)c2)c1
InChIInChI=1S/C20H13FN4O2/c21-17-3-1-2-13(6-17)19-18(25-20(26)27-19)16-5-15(10-24-11-16)14-4-12(7-22)8-23-9-14/h1-6,8-11,18-19H,(H,25,26)/t18-,19-/m1/s1
InChIKeyLNRKVNMYHJTDGF-RTBURBONSA-N
XLogP3.68
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.35
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(4R,5R)-5-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-4-yl]-3-pyridinyl]pyridine-3-carbonitrile?
The IUPAC name of 5-[5-[(4R,5R)-5-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-4-yl]-3-pyridinyl]pyridine-3-carbonitrile (CID 70958434) is 5-[5-[(4R,5R)-5-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-4-yl]-3-pyridinyl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[5-[(4R,5R)-5-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-4-yl]-3-pyridinyl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[5-[(4R,5R)-5-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-4-yl]-3-pyridinyl]pyridine-3-carbonitrile is N#Cc1cncc(-c2cncc([C@H]3NC(=O)O[C@@H]3c3cccc(F)c3)c2)c1.
What is the InChIKey of 5-[5-[(4R,5R)-5-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-4-yl]-3-pyridinyl]pyridine-3-carbonitrile?
The InChIKey is LNRKVNMYHJTDGF-RTBURBONSA-N. The full InChI is InChI=1S/C20H13FN4O2/c21-17-3-1-2-13(6-17)19-18(25-20(26)27-19)16-5-15(10-24-11-16)14-4-12(7-22)8-23-9-14/h1-6,8-11,18-19H,(H,25,26)/t18-,19-/m1/s1.
What are the key properties of 5-[5-[(4R,5R)-5-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-4-yl]-3-pyridinyl]pyridine-3-carbonitrile?
5-[5-[(4R,5R)-5-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-4-yl]-3-pyridinyl]pyridine-3-carbonitrile has a molecular weight of 360.35 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(4R,5R)-5-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-4-yl]-3-pyridinyl]pyridine-3-carbonitrile is sourced from PubChem (CID 70958434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).