(4R,5R)-5-(4-fluorophenyl)-4-[6-(2-fluoro-4-pyridinyl)-2-pyridinyl]-1,3-oxazolidin-2-one

C19H13F2N3O2 — CID 70958582

IUPAC(4R,5R)-5-(4-fluorophenyl)-4-[6-(2-fluoro-4-pyridinyl)-2-pyridinyl]-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](c2cccc(-c3ccnc(F)c3)n2)[C@@H](c2ccc(F)cc2)O1
InChIInChI=1S/C19H13F2N3O2/c20-13-6-4-11(5-7-13)18-17(24-19(25)26-18)15-3-1-2-14(23-15)12-8-9-22-16(21)10-12/h1-10,17-18H,(H,24,25)/t17-,18-/m1/s1
InChIKeyBZQPNWVRSQACNX-QZTJIDSGSA-N
MW353.33 g/mol
LogP3.94
Rot. Bonds3

About (4R,5R)-5-(4-fluorophenyl)-4-[6-(2-fluoro-4-pyridinyl)-2-pyridinyl]-1,3-oxazolidin-2-one

(4R,5R)-5-(4-fluorophenyl)-4-[6-(2-fluoro-4-pyridinyl)-2-pyridinyl]-1,3-oxazolidin-2-one (PubChem CID 70958582) has the molecular formula C19H13F2N3O2 and a molecular weight of 353.33 g/mol. Its IUPAC name is (4R,5R)-5-(4-fluorophenyl)-4-[6-(2-fluoro-4-pyridinyl)-2-pyridinyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-5-(4-fluorophenyl)-4-[6-(2-fluoro-4-pyridinyl)-2-pyridinyl]-1,3-oxazolidin-2-one
PubChem CID70958582
Molecular FormulaC19H13F2N3O2
Molecular Weight353.33 g/mol
Exact Mass353.10
IUPAC Name(4R,5R)-5-(4-fluorophenyl)-4-[6-(2-fluoro-4-pyridinyl)-2-pyridinyl]-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](c2cccc(-c3ccnc(F)c3)n2)[C@@H](c2ccc(F)cc2)O1
InChIInChI=1S/C19H13F2N3O2/c20-13-6-4-11(5-7-13)18-17(24-19(25)26-18)15-3-1-2-14(23-15)12-8-9-22-16(21)10-12/h1-10,17-18H,(H,24,25)/t17-,18-/m1/s1
InChIKeyBZQPNWVRSQACNX-QZTJIDSGSA-N
XLogP3.94
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-(4-fluorophenyl)-4-[6-(2-fluoro-4-pyridinyl)-2-pyridinyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5R)-5-(4-fluorophenyl)-4-[6-(2-fluoro-4-pyridinyl)-2-pyridinyl]-1,3-oxazolidin-2-one (CID 70958582) is (4R,5R)-5-(4-fluorophenyl)-4-[6-(2-fluoro-4-pyridinyl)-2-pyridinyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5R)-5-(4-fluorophenyl)-4-[6-(2-fluoro-4-pyridinyl)-2-pyridinyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5R)-5-(4-fluorophenyl)-4-[6-(2-fluoro-4-pyridinyl)-2-pyridinyl]-1,3-oxazolidin-2-one is O=C1N[C@H](c2cccc(-c3ccnc(F)c3)n2)[C@@H](c2ccc(F)cc2)O1.
What is the InChIKey of (4R,5R)-5-(4-fluorophenyl)-4-[6-(2-fluoro-4-pyridinyl)-2-pyridinyl]-1,3-oxazolidin-2-one?
The InChIKey is BZQPNWVRSQACNX-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H13F2N3O2/c20-13-6-4-11(5-7-13)18-17(24-19(25)26-18)15-3-1-2-14(23-15)12-8-9-22-16(21)10-12/h1-10,17-18H,(H,24,25)/t17-,18-/m1/s1.
What are the key properties of (4R,5R)-5-(4-fluorophenyl)-4-[6-(2-fluoro-4-pyridinyl)-2-pyridinyl]-1,3-oxazolidin-2-one?
(4R,5R)-5-(4-fluorophenyl)-4-[6-(2-fluoro-4-pyridinyl)-2-pyridinyl]-1,3-oxazolidin-2-one has a molecular weight of 353.33 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-(4-fluorophenyl)-4-[6-(2-fluoro-4-pyridinyl)-2-pyridinyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 70958582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).