4-benzyl-3-[(2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one

C19H24FNO6 — CID 90281142

IUPAC4-benzyl-3-[(2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one
SMILESCC1(C)OCC([C@@H](O)[C@@](C)(F)C(=O)N2C(=O)OCC2Cc2ccccc2)O1
InChIInChI=1S/C19H24FNO6/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/h4-8,13-15,22H,9-11H2,1-3H3/t13?,14?,15-,19-/m1/s1
InChIKeyMCFZKYAFROCMAI-MCPBJLBBSA-N
MW381.40 g/mol
LogP1.82
Rot. Bonds5

About 4-benzyl-3-[(2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one

4-benzyl-3-[(2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one (PubChem CID 90281142) has the molecular formula C19H24FNO6 and a molecular weight of 381.40 g/mol. Its IUPAC name is 4-benzyl-3-[(2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-benzyl-3-[(2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one
PubChem CID90281142
Molecular FormulaC19H24FNO6
Molecular Weight381.40 g/mol
Exact Mass381.16
IUPAC Name4-benzyl-3-[(2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one
SMILESCC1(C)OCC([C@@H](O)[C@@](C)(F)C(=O)N2C(=O)OCC2Cc2ccccc2)O1
InChIInChI=1S/C19H24FNO6/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/h4-8,13-15,22H,9-11H2,1-3H3/t13?,14?,15-,19-/m1/s1
InChIKeyMCFZKYAFROCMAI-MCPBJLBBSA-N
XLogP1.82
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-[(2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-benzyl-3-[(2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one (CID 90281142) is 4-benzyl-3-[(2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-benzyl-3-[(2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-benzyl-3-[(2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one is CC1(C)OCC([C@@H](O)[C@@](C)(F)C(=O)N2C(=O)OCC2Cc2ccccc2)O1.
What is the InChIKey of 4-benzyl-3-[(2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one?
The InChIKey is MCFZKYAFROCMAI-MCPBJLBBSA-N. The full InChI is InChI=1S/C19H24FNO6/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/h4-8,13-15,22H,9-11H2,1-3H3/t13?,14?,15-,19-/m1/s1.
What are the key properties of 4-benzyl-3-[(2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one?
4-benzyl-3-[(2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one has a molecular weight of 381.40 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-[(2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 90281142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).