(4R,5R)-4-[5-[3-(3,3-difluoroazetidin-1-yl)prop-1-ynyl]-3-pyridinyl]-5-(3-fluorophenyl)-1,3-oxazolidin-2-one

C20H16F3N3O2 — CID 118008750

IUPAC(4R,5R)-4-[5-[3-(3,3-difluoroazetidin-1-yl)prop-1-ynyl]-3-pyridinyl]-5-(3-fluorophenyl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](c2cncc(C#CCN3CC(F)(F)C3)c2)[C@@H](c2cccc(F)c2)O1
InChIInChI=1S/C20H16F3N3O2/c21-16-5-1-4-14(8-16)18-17(25-19(27)28-18)15-7-13(9-24-10-15)3-2-6-26-11-20(22,23)12-26/h1,4-5,7-10,17-18H,6,11-12H2,(H,25,27)/t17-,18-/m1/s1
InChIKeyFNAPMLLZOOGBNF-QZTJIDSGSA-N
MW387.36 g/mol
LogP3.05
Rot. Bonds3

About (4R,5R)-4-[5-[3-(3,3-difluoroazetidin-1-yl)prop-1-ynyl]-3-pyridinyl]-5-(3-fluorophenyl)-1,3-oxazolidin-2-one

(4R,5R)-4-[5-[3-(3,3-difluoroazetidin-1-yl)prop-1-ynyl]-3-pyridinyl]-5-(3-fluorophenyl)-1,3-oxazolidin-2-one (PubChem CID 118008750) has the molecular formula C20H16F3N3O2 and a molecular weight of 387.36 g/mol. Its IUPAC name is (4R,5R)-4-[5-[3-(3,3-difluoroazetidin-1-yl)prop-1-ynyl]-3-pyridinyl]-5-(3-fluorophenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-4-[5-[3-(3,3-difluoroazetidin-1-yl)prop-1-ynyl]-3-pyridinyl]-5-(3-fluorophenyl)-1,3-oxazolidin-2-one
PubChem CID118008750
Molecular FormulaC20H16F3N3O2
Molecular Weight387.36 g/mol
Exact Mass387.12
IUPAC Name(4R,5R)-4-[5-[3-(3,3-difluoroazetidin-1-yl)prop-1-ynyl]-3-pyridinyl]-5-(3-fluorophenyl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](c2cncc(C#CCN3CC(F)(F)C3)c2)[C@@H](c2cccc(F)c2)O1
InChIInChI=1S/C20H16F3N3O2/c21-16-5-1-4-14(8-16)18-17(25-19(27)28-18)15-7-13(9-24-10-15)3-2-6-26-11-20(22,23)12-26/h1,4-5,7-10,17-18H,6,11-12H2,(H,25,27)/t17-,18-/m1/s1
InChIKeyFNAPMLLZOOGBNF-QZTJIDSGSA-N
XLogP3.05
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (4R,5R)-4-[5-[3-(3,3-difluoroazetidin-1-yl)prop-1-ynyl]-3-pyridinyl]-5-(3-fluorophenyl)-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-[5-[3-(3,3-difluoroazetidin-1-yl)prop-1-ynyl]-3-pyridinyl]-5-(3-fluorophenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5R)-4-[5-[3-(3,3-difluoroazetidin-1-yl)prop-1-ynyl]-3-pyridinyl]-5-(3-fluorophenyl)-1,3-oxazolidin-2-one (CID 118008750) is (4R,5R)-4-[5-[3-(3,3-difluoroazetidin-1-yl)prop-1-ynyl]-3-pyridinyl]-5-(3-fluorophenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5R)-4-[5-[3-(3,3-difluoroazetidin-1-yl)prop-1-ynyl]-3-pyridinyl]-5-(3-fluorophenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5R)-4-[5-[3-(3,3-difluoroazetidin-1-yl)prop-1-ynyl]-3-pyridinyl]-5-(3-fluorophenyl)-1,3-oxazolidin-2-one is O=C1N[C@H](c2cncc(C#CCN3CC(F)(F)C3)c2)[C@@H](c2cccc(F)c2)O1.
What is the InChIKey of (4R,5R)-4-[5-[3-(3,3-difluoroazetidin-1-yl)prop-1-ynyl]-3-pyridinyl]-5-(3-fluorophenyl)-1,3-oxazolidin-2-one?
The InChIKey is FNAPMLLZOOGBNF-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H16F3N3O2/c21-16-5-1-4-14(8-16)18-17(25-19(27)28-18)15-7-13(9-24-10-15)3-2-6-26-11-20(22,23)12-26/h1,4-5,7-10,17-18H,6,11-12H2,(H,25,27)/t17-,18-/m1/s1.
What are the key properties of (4R,5R)-4-[5-[3-(3,3-difluoroazetidin-1-yl)prop-1-ynyl]-3-pyridinyl]-5-(3-fluorophenyl)-1,3-oxazolidin-2-one?
(4R,5R)-4-[5-[3-(3,3-difluoroazetidin-1-yl)prop-1-ynyl]-3-pyridinyl]-5-(3-fluorophenyl)-1,3-oxazolidin-2-one has a molecular weight of 387.36 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-[5-[3-(3,3-difluoroazetidin-1-yl)prop-1-ynyl]-3-pyridinyl]-5-(3-fluorophenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 118008750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).