(4R,5R)-4-[2-(5-fluoro-3-pyridinyl)-4-pyridinyl]-5-pyridin-3-yl-1,3-oxazolidin-2-one

C18H13FN4O2 — CID 70958305

IUPAC(4R,5R)-4-[2-(5-fluoro-3-pyridinyl)-4-pyridinyl]-5-pyridin-3-yl-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](c2ccnc(-c3cncc(F)c3)c2)[C@@H](c2cccnc2)O1
InChIInChI=1S/C18H13FN4O2/c19-14-6-13(9-21-10-14)15-7-11(3-5-22-15)16-17(25-18(24)23-16)12-2-1-4-20-8-12/h1-10,16-17H,(H,23,24)/t16-,17-/m1/s1
InChIKeyLOSWNLCOQPIXNT-IAGOWNOFSA-N
MW336.33 g/mol
LogP3.20
Rot. Bonds3

About (4R,5R)-4-[2-(5-fluoro-3-pyridinyl)-4-pyridinyl]-5-pyridin-3-yl-1,3-oxazolidin-2-one

(4R,5R)-4-[2-(5-fluoro-3-pyridinyl)-4-pyridinyl]-5-pyridin-3-yl-1,3-oxazolidin-2-one (PubChem CID 70958305) has the molecular formula C18H13FN4O2 and a molecular weight of 336.33 g/mol. Its IUPAC name is (4R,5R)-4-[2-(5-fluoro-3-pyridinyl)-4-pyridinyl]-5-pyridin-3-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-4-[2-(5-fluoro-3-pyridinyl)-4-pyridinyl]-5-pyridin-3-yl-1,3-oxazolidin-2-one
PubChem CID70958305
Molecular FormulaC18H13FN4O2
Molecular Weight336.33 g/mol
Exact Mass336.10
IUPAC Name(4R,5R)-4-[2-(5-fluoro-3-pyridinyl)-4-pyridinyl]-5-pyridin-3-yl-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](c2ccnc(-c3cncc(F)c3)c2)[C@@H](c2cccnc2)O1
InChIInChI=1S/C18H13FN4O2/c19-14-6-13(9-21-10-14)15-7-11(3-5-22-15)16-17(25-18(24)23-16)12-2-1-4-20-8-12/h1-10,16-17H,(H,23,24)/t16-,17-/m1/s1
InChIKeyLOSWNLCOQPIXNT-IAGOWNOFSA-N
XLogP3.20
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-[2-(5-fluoro-3-pyridinyl)-4-pyridinyl]-5-pyridin-3-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5R)-4-[2-(5-fluoro-3-pyridinyl)-4-pyridinyl]-5-pyridin-3-yl-1,3-oxazolidin-2-one (CID 70958305) is (4R,5R)-4-[2-(5-fluoro-3-pyridinyl)-4-pyridinyl]-5-pyridin-3-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5R)-4-[2-(5-fluoro-3-pyridinyl)-4-pyridinyl]-5-pyridin-3-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5R)-4-[2-(5-fluoro-3-pyridinyl)-4-pyridinyl]-5-pyridin-3-yl-1,3-oxazolidin-2-one is O=C1N[C@H](c2ccnc(-c3cncc(F)c3)c2)[C@@H](c2cccnc2)O1.
What is the InChIKey of (4R,5R)-4-[2-(5-fluoro-3-pyridinyl)-4-pyridinyl]-5-pyridin-3-yl-1,3-oxazolidin-2-one?
The InChIKey is LOSWNLCOQPIXNT-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H13FN4O2/c19-14-6-13(9-21-10-14)15-7-11(3-5-22-15)16-17(25-18(24)23-16)12-2-1-4-20-8-12/h1-10,16-17H,(H,23,24)/t16-,17-/m1/s1.
What are the key properties of (4R,5R)-4-[2-(5-fluoro-3-pyridinyl)-4-pyridinyl]-5-pyridin-3-yl-1,3-oxazolidin-2-one?
(4R,5R)-4-[2-(5-fluoro-3-pyridinyl)-4-pyridinyl]-5-pyridin-3-yl-1,3-oxazolidin-2-one has a molecular weight of 336.33 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-[2-(5-fluoro-3-pyridinyl)-4-pyridinyl]-5-pyridin-3-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 70958305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).