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

C19H26FNO6 — CID 123616511

IUPAC4-benzyl-3-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-1,3-dihydroxy-2-methylpropyl]-1,3-oxazolidin-2-one
SMILESCC1(C)OCC(C(O)C(C)(F)C(O)N2C(=O)OCC2Cc2ccccc2)O1
InChIInChI=1S/C19H26FNO6/c1-18(2)26-11-14(27-18)15(22)19(3,20)16(23)21-13(10-25-17(21)24)9-12-7-5-4-6-8-12/h4-8,13-16,22-23H,9-11H2,1-3H3
InChIKeyVJVVGWJHRWQZJV-UHFFFAOYSA-N
MW383.42 g/mol
LogP1.61
Rot. Bonds6

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

4-benzyl-3-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-1,3-dihydroxy-2-methylpropyl]-1,3-oxazolidin-2-one (PubChem CID 123616511) has the molecular formula C19H26FNO6 and a molecular weight of 383.42 g/mol. Its IUPAC name is 4-benzyl-3-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-1,3-dihydroxy-2-methylpropyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-benzyl-3-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-1,3-dihydroxy-2-methylpropyl]-1,3-oxazolidin-2-one
PubChem CID123616511
Molecular FormulaC19H26FNO6
Molecular Weight383.42 g/mol
Exact Mass383.17
IUPAC Name4-benzyl-3-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-1,3-dihydroxy-2-methylpropyl]-1,3-oxazolidin-2-one
SMILESCC1(C)OCC(C(O)C(C)(F)C(O)N2C(=O)OCC2Cc2ccccc2)O1
InChIInChI=1S/C19H26FNO6/c1-18(2)26-11-14(27-18)15(22)19(3,20)16(23)21-13(10-25-17(21)24)9-12-7-5-4-6-8-12/h4-8,13-16,22-23H,9-11H2,1-3H3
InChIKeyVJVVGWJHRWQZJV-UHFFFAOYSA-N
XLogP1.61
TPSA88.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-1,3-dihydroxy-2-methylpropyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-benzyl-3-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-1,3-dihydroxy-2-methylpropyl]-1,3-oxazolidin-2-one (CID 123616511) is 4-benzyl-3-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-1,3-dihydroxy-2-methylpropyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-benzyl-3-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-1,3-dihydroxy-2-methylpropyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-benzyl-3-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-1,3-dihydroxy-2-methylpropyl]-1,3-oxazolidin-2-one is CC1(C)OCC(C(O)C(C)(F)C(O)N2C(=O)OCC2Cc2ccccc2)O1.
What is the InChIKey of 4-benzyl-3-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-1,3-dihydroxy-2-methylpropyl]-1,3-oxazolidin-2-one?
The InChIKey is VJVVGWJHRWQZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FNO6/c1-18(2)26-11-14(27-18)15(22)19(3,20)16(23)21-13(10-25-17(21)24)9-12-7-5-4-6-8-12/h4-8,13-16,22-23H,9-11H2,1-3H3.
What are the key properties of 4-benzyl-3-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-1,3-dihydroxy-2-methylpropyl]-1,3-oxazolidin-2-one?
4-benzyl-3-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-1,3-dihydroxy-2-methylpropyl]-1,3-oxazolidin-2-one has a molecular weight of 383.42 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-1,3-dihydroxy-2-methylpropyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 123616511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).