3-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-1,3-dihydroxy-2-methylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C15H26FNO6 — CID 123225469

IUPAC3-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-1,3-dihydroxy-2-methylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)C1COC(=O)N1C(O)C(C)(F)C(O)C1COC(C)(C)O1
InChIInChI=1S/C15H26FNO6/c1-8(2)9-6-21-13(20)17(9)12(19)15(5,16)11(18)10-7-22-14(3,4)23-10/h8-12,18-19H,6-7H2,1-5H3
InChIKeyVLELGELURJBUGM-UHFFFAOYSA-N
MW335.37 g/mol
LogP1.02
Rot. Bonds5

About 3-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-1,3-dihydroxy-2-methylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one

3-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-1,3-dihydroxy-2-methylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 123225469) has the molecular formula C15H26FNO6 and a molecular weight of 335.37 g/mol. Its IUPAC name is 3-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-1,3-dihydroxy-2-methylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-1,3-dihydroxy-2-methylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID123225469
Molecular FormulaC15H26FNO6
Molecular Weight335.37 g/mol
Exact Mass335.17
IUPAC Name3-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-1,3-dihydroxy-2-methylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)C1COC(=O)N1C(O)C(C)(F)C(O)C1COC(C)(C)O1
InChIInChI=1S/C15H26FNO6/c1-8(2)9-6-21-13(20)17(9)12(19)15(5,16)11(18)10-7-22-14(3,4)23-10/h8-12,18-19H,6-7H2,1-5H3
InChIKeyVLELGELURJBUGM-UHFFFAOYSA-N
XLogP1.02
TPSA88.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-1,3-dihydroxy-2-methylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(S)-3-((2R,3R)-3-((R)-2,2-Dimethyl-1,3-dioxolan-4-yl)-2-fluoro-3-hydroxy-2-methylpropanoyl)-4-isopropyloxazolidin-2-one
CID 90281164
3-[(2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-3-hydroxy-2-methylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 90281165
N-[6-fluoro-6-(hydroxymethyl)-2-methoxy-3a-methyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]-N-methylacetamide
CID 123573072
2-[(2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-1,3-dihydroxy-2-methylpropyl]-1-propan-2-yl-1lambda3,4,2-iodoxazolidin-3-one
CID 163495739
CID 164023142
CID 164023142
tert-butyl (3R,4S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxypyrrolidine-1-carboxylate
CID 11196958
tert-butyl (3S,4R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxypyrrolidine-1-carboxylate
CID 11231521
(4S)-3-[(3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 77106967
tert-butyl (3R,4S)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxypyrrolidine-1-carboxylate
CID 11266180
tert-butyl (2S,3R,4S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxypyrrolidine-1-carboxylate
CID 11403911
tert-butyl (3R,4S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxypyrrolidine-1-carboxylate
CID 11414982
[(2S,3R,4R)-1-acetyl-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxypyrrolidin-3-yl]methyl acetate
CID 24744758

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-1,3-dihydroxy-2-methylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-1,3-dihydroxy-2-methylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 123225469) is 3-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-1,3-dihydroxy-2-methylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-1,3-dihydroxy-2-methylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-1,3-dihydroxy-2-methylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)C1COC(=O)N1C(O)C(C)(F)C(O)C1COC(C)(C)O1.
What is the InChIKey of 3-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-1,3-dihydroxy-2-methylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is VLELGELURJBUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26FNO6/c1-8(2)9-6-21-13(20)17(9)12(19)15(5,16)11(18)10-7-22-14(3,4)23-10/h8-12,18-19H,6-7H2,1-5H3.
What are the key properties of 3-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-1,3-dihydroxy-2-methylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
3-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-1,3-dihydroxy-2-methylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 335.37 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-1,3-dihydroxy-2-methylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 123225469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).