(4R,5R)-5-(3-fluorophenyl)-4-[5-[(5S)-5-hydroxyhex-1-ynyl]-3-pyridinyl]-1,3-oxazolidin-2-one

C20H19FN2O3 — CID 133081508

IUPAC(4R,5R)-5-(3-fluorophenyl)-4-[5-[(5S)-5-hydroxyhex-1-ynyl]-3-pyridinyl]-1,3-oxazolidin-2-one
SMILESC[C@H](O)CCC#Cc1cncc([C@H]2NC(=O)O[C@@H]2c2cccc(F)c2)c1
InChIInChI=1S/C20H19FN2O3/c1-13(24)5-2-3-6-14-9-16(12-22-11-14)18-19(26-20(25)23-18)15-7-4-8-17(21)10-15/h4,7-13,18-19,24H,2,5H2,1H3,(H,23,25)/t13-,18+,19+/m0/s1
InChIKeyKIPCSVVEVWXKBF-MJXNMMHHSA-N
MW354.38 g/mol
LogP3.26
Rot. Bonds4

About (4R,5R)-5-(3-fluorophenyl)-4-[5-[(5S)-5-hydroxyhex-1-ynyl]-3-pyridinyl]-1,3-oxazolidin-2-one

(4R,5R)-5-(3-fluorophenyl)-4-[5-[(5S)-5-hydroxyhex-1-ynyl]-3-pyridinyl]-1,3-oxazolidin-2-one (PubChem CID 133081508) has the molecular formula C20H19FN2O3 and a molecular weight of 354.38 g/mol. Its IUPAC name is (4R,5R)-5-(3-fluorophenyl)-4-[5-[(5S)-5-hydroxyhex-1-ynyl]-3-pyridinyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-5-(3-fluorophenyl)-4-[5-[(5S)-5-hydroxyhex-1-ynyl]-3-pyridinyl]-1,3-oxazolidin-2-one
PubChem CID133081508
Molecular FormulaC20H19FN2O3
Molecular Weight354.38 g/mol
Exact Mass354.14
IUPAC Name(4R,5R)-5-(3-fluorophenyl)-4-[5-[(5S)-5-hydroxyhex-1-ynyl]-3-pyridinyl]-1,3-oxazolidin-2-one
SMILESC[C@H](O)CCC#Cc1cncc([C@H]2NC(=O)O[C@@H]2c2cccc(F)c2)c1
InChIInChI=1S/C20H19FN2O3/c1-13(24)5-2-3-6-14-9-16(12-22-11-14)18-19(26-20(25)23-18)15-7-4-8-17(21)10-15/h4,7-13,18-19,24H,2,5H2,1H3,(H,23,25)/t13-,18+,19+/m0/s1
InChIKeyKIPCSVVEVWXKBF-MJXNMMHHSA-N
XLogP3.26
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-(3-fluorophenyl)-4-[5-[(5S)-5-hydroxyhex-1-ynyl]-3-pyridinyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5R)-5-(3-fluorophenyl)-4-[5-[(5S)-5-hydroxyhex-1-ynyl]-3-pyridinyl]-1,3-oxazolidin-2-one (CID 133081508) is (4R,5R)-5-(3-fluorophenyl)-4-[5-[(5S)-5-hydroxyhex-1-ynyl]-3-pyridinyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5R)-5-(3-fluorophenyl)-4-[5-[(5S)-5-hydroxyhex-1-ynyl]-3-pyridinyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5R)-5-(3-fluorophenyl)-4-[5-[(5S)-5-hydroxyhex-1-ynyl]-3-pyridinyl]-1,3-oxazolidin-2-one is C[C@H](O)CCC#Cc1cncc([C@H]2NC(=O)O[C@@H]2c2cccc(F)c2)c1.
What is the InChIKey of (4R,5R)-5-(3-fluorophenyl)-4-[5-[(5S)-5-hydroxyhex-1-ynyl]-3-pyridinyl]-1,3-oxazolidin-2-one?
The InChIKey is KIPCSVVEVWXKBF-MJXNMMHHSA-N. The full InChI is InChI=1S/C20H19FN2O3/c1-13(24)5-2-3-6-14-9-16(12-22-11-14)18-19(26-20(25)23-18)15-7-4-8-17(21)10-15/h4,7-13,18-19,24H,2,5H2,1H3,(H,23,25)/t13-,18+,19+/m0/s1.
What are the key properties of (4R,5R)-5-(3-fluorophenyl)-4-[5-[(5S)-5-hydroxyhex-1-ynyl]-3-pyridinyl]-1,3-oxazolidin-2-one?
(4R,5R)-5-(3-fluorophenyl)-4-[5-[(5S)-5-hydroxyhex-1-ynyl]-3-pyridinyl]-1,3-oxazolidin-2-one has a molecular weight of 354.38 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-(3-fluorophenyl)-4-[5-[(5S)-5-hydroxyhex-1-ynyl]-3-pyridinyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 133081508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).