1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one;1-[(3R)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one

C26H34F2N4O4 — CID 157336429

IUPAC1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one;1-[(3R)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1OCC[C@@H]1c1ccc(F)nc1.CC(C)(C)C(=O)N1OCC[C@H]1c1ccc(F)nc1
InChIInChI=1S/2C13H17FN2O2/c2*1-13(2,3)12(17)16-10(6-7-18-16)9-4-5-11(14)15-8-9/h2*4-5,8,10H,6-7H2,1-3H3/t2*10-/m10/s1
InChIKeyBFWWBYSJYOSUPJ-FTYBWHBYSA-N
MW504.58 g/mol
LogP4.94
Rot. Bonds2

About 1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one;1-[(3R)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one

1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one;1-[(3R)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one (PubChem CID 157336429) has the molecular formula C26H34F2N4O4 and a molecular weight of 504.58 g/mol. Its IUPAC name is 1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one;1-[(3R)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one;1-[(3R)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one
PubChem CID157336429
Molecular FormulaC26H34F2N4O4
Molecular Weight504.58 g/mol
Exact Mass504.25
IUPAC Name1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one;1-[(3R)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1OCC[C@@H]1c1ccc(F)nc1.CC(C)(C)C(=O)N1OCC[C@H]1c1ccc(F)nc1
InChIInChI=1S/2C13H17FN2O2/c2*1-13(2,3)12(17)16-10(6-7-18-16)9-4-5-11(14)15-8-9/h2*4-5,8,10H,6-7H2,1-3H3/t2*10-/m10/s1
InChIKeyBFWWBYSJYOSUPJ-FTYBWHBYSA-N
XLogP4.94
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.58
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one;1-[(3R)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one with MolForge

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Launch Full Analysis

Related Compounds

1-[(3S)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one
CID 129188882
1-[(3S)-3-(5-chloro-3-fluoro-2-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one
CID 129188737
2,2-dimethyl-1-[(3S)-3-(6-methylpyrazin-2-yl)-1,2-oxazolidin-2-yl]propan-1-one
CID 129188723
3,3-difluoro-2,2-dimethyl-1-[(3S)-3-(1-methylpyrazol-4-yl)-1,2-oxazolidin-2-yl]propan-1-one
CID 129188859
(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidine-2-carboxylic acid
CID 129188798
(1-cyclopropylcyclopropyl)-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]methanol
CID 154985497
2,2-dimethyl-1-(3-phenyl-1,2-oxazolidin-2-yl)but-3-en-1-one
CID 121446372
1-[(3S)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethyl-3-(trifluoromethoxy)propan-1-one
CID 129188877
[4-[(5-fluoro-2-methyl-4-pyridinyl)methyl]cyclohexyl]-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone
CID 172581704
tert-butyl 3-(3-fluorophenyl)-1,2-oxazolidine-2-carboxylate
CID 129188867
5-fluoro-6-[4-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
CID 162376503
tert-butyl 3-(6-fluoro-3-pyridinyl)pyrrolidine-1-carboxylate
CID 146204566

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one;1-[(3R)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one;1-[(3R)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one (CID 157336429) is 1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one;1-[(3R)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one;1-[(3R)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one;1-[(3R)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1OCC[C@@H]1c1ccc(F)nc1.CC(C)(C)C(=O)N1OCC[C@H]1c1ccc(F)nc1.
What is the InChIKey of 1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one;1-[(3R)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one?
The InChIKey is BFWWBYSJYOSUPJ-FTYBWHBYSA-N. The full InChI is InChI=1S/2C13H17FN2O2/c2*1-13(2,3)12(17)16-10(6-7-18-16)9-4-5-11(14)15-8-9/h2*4-5,8,10H,6-7H2,1-3H3/t2*10-/m10/s1.
What are the key properties of 1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one;1-[(3R)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one?
1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one;1-[(3R)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one has a molecular weight of 504.58 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one;1-[(3R)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 157336429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).