(4S)-3-[(2R)-2-[(S)-(5-fluoro-3-pyridinyl)-hydroxymethyl]hex-5-ynoyl]-4-phenyl-1,3-oxazolidin-2-one

C21H19FN2O4 — CID 122489261

IUPAC(4S)-3-[(2R)-2-[(S)-(5-fluoro-3-pyridinyl)-hydroxymethyl]hex-5-ynoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESC#CCC[C@@H](C(=O)N1C(=O)OC[C@@H]1c1ccccc1)[C@H](O)c1cncc(F)c1
InChIInChI=1S/C21H19FN2O4/c1-2-3-9-17(19(25)15-10-16(22)12-23-11-15)20(26)24-18(13-28-21(24)27)14-7-5-4-6-8-14/h1,4-8,10-12,17-19,25H,3,9,13H2/t17-,18-,19-/m1/s1
InChIKeyMFHSWQHATOIMMP-GUDVDZBRSA-N
MW382.39 g/mol
LogP3.00
Rot. Bonds6

About (4S)-3-[(2R)-2-[(S)-(5-fluoro-3-pyridinyl)-hydroxymethyl]hex-5-ynoyl]-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-[(2R)-2-[(S)-(5-fluoro-3-pyridinyl)-hydroxymethyl]hex-5-ynoyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 122489261) has the molecular formula C21H19FN2O4 and a molecular weight of 382.39 g/mol. Its IUPAC name is (4S)-3-[(2R)-2-[(S)-(5-fluoro-3-pyridinyl)-hydroxymethyl]hex-5-ynoyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(2R)-2-[(S)-(5-fluoro-3-pyridinyl)-hydroxymethyl]hex-5-ynoyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID122489261
Molecular FormulaC21H19FN2O4
Molecular Weight382.39 g/mol
Exact Mass382.13
IUPAC Name(4S)-3-[(2R)-2-[(S)-(5-fluoro-3-pyridinyl)-hydroxymethyl]hex-5-ynoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESC#CCC[C@@H](C(=O)N1C(=O)OC[C@@H]1c1ccccc1)[C@H](O)c1cncc(F)c1
InChIInChI=1S/C21H19FN2O4/c1-2-3-9-17(19(25)15-10-16(22)12-23-11-15)20(26)24-18(13-28-21(24)27)14-7-5-4-6-8-14/h1,4-8,10-12,17-19,25H,3,9,13H2/t17-,18-,19-/m1/s1
InChIKeyMFHSWQHATOIMMP-GUDVDZBRSA-N
XLogP3.00
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4S)-3-[(2R)-2-[(S)-(5-fluoro-3-pyridinyl)-hydroxymethyl]hex-5-ynoyl]-4-phenyl-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 (4S)-3-[(2R)-2-[(S)-(5-fluoro-3-pyridinyl)-hydroxymethyl]hex-5-ynoyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(2R)-2-[(S)-(5-fluoro-3-pyridinyl)-hydroxymethyl]hex-5-ynoyl]-4-phenyl-1,3-oxazolidin-2-one (CID 122489261) is (4S)-3-[(2R)-2-[(S)-(5-fluoro-3-pyridinyl)-hydroxymethyl]hex-5-ynoyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(2R)-2-[(S)-(5-fluoro-3-pyridinyl)-hydroxymethyl]hex-5-ynoyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(2R)-2-[(S)-(5-fluoro-3-pyridinyl)-hydroxymethyl]hex-5-ynoyl]-4-phenyl-1,3-oxazolidin-2-one is C#CCC[C@@H](C(=O)N1C(=O)OC[C@@H]1c1ccccc1)[C@H](O)c1cncc(F)c1.
What is the InChIKey of (4S)-3-[(2R)-2-[(S)-(5-fluoro-3-pyridinyl)-hydroxymethyl]hex-5-ynoyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is MFHSWQHATOIMMP-GUDVDZBRSA-N. The full InChI is InChI=1S/C21H19FN2O4/c1-2-3-9-17(19(25)15-10-16(22)12-23-11-15)20(26)24-18(13-28-21(24)27)14-7-5-4-6-8-14/h1,4-8,10-12,17-19,25H,3,9,13H2/t17-,18-,19-/m1/s1.
What are the key properties of (4S)-3-[(2R)-2-[(S)-(5-fluoro-3-pyridinyl)-hydroxymethyl]hex-5-ynoyl]-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-[(2R)-2-[(S)-(5-fluoro-3-pyridinyl)-hydroxymethyl]hex-5-ynoyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 382.39 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(2R)-2-[(S)-(5-fluoro-3-pyridinyl)-hydroxymethyl]hex-5-ynoyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 122489261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).