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

C18H22FNO6 — CID 118423801

IUPAC(4R)-3-[(2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCC1(C)OC[C@H]([C@@H](O)[C@@](C)(F)C(=O)N2C(=O)OC[C@H]2c2ccccc2)O1
InChIInChI=1S/C18H22FNO6/c1-17(2)25-10-13(26-17)14(21)18(3,19)15(22)20-12(9-24-16(20)23)11-7-5-4-6-8-11/h4-8,12-14,21H,9-10H2,1-3H3/t12-,13+,14+,18+/m0/s1
InChIKeyDFNUGYYYXSFWPI-HNSFDTNUSA-N
MW367.37 g/mol
LogP1.95
Rot. Bonds4

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

(4R)-3-[(2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanoyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 118423801) has the molecular formula C18H22FNO6 and a molecular weight of 367.37 g/mol. Its IUPAC name is (4R)-3-[(2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanoyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[(2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanoyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID118423801
Molecular FormulaC18H22FNO6
Molecular Weight367.37 g/mol
Exact Mass367.14
IUPAC Name(4R)-3-[(2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCC1(C)OC[C@H]([C@@H](O)[C@@](C)(F)C(=O)N2C(=O)OC[C@H]2c2ccccc2)O1
InChIInChI=1S/C18H22FNO6/c1-17(2)25-10-13(26-17)14(21)18(3,19)15(22)20-12(9-24-16(20)23)11-7-5-4-6-8-11/h4-8,12-14,21H,9-10H2,1-3H3/t12-,13+,14+,18+/m0/s1
InChIKeyDFNUGYYYXSFWPI-HNSFDTNUSA-N
XLogP1.95
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4R)-3-[(2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanoyl]-4-phenyl-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[(2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanoyl]-4-phenyl-1,3-oxazolidin-2-one (CID 118423801) is (4R)-3-[(2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanoyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[(2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[(2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanoyl]-4-phenyl-1,3-oxazolidin-2-one is CC1(C)OC[C@H]([C@@H](O)[C@@](C)(F)C(=O)N2C(=O)OC[C@H]2c2ccccc2)O1.
What is the InChIKey of (4R)-3-[(2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is DFNUGYYYXSFWPI-HNSFDTNUSA-N. The full InChI is InChI=1S/C18H22FNO6/c1-17(2)25-10-13(26-17)14(21)18(3,19)15(22)20-12(9-24-16(20)23)11-7-5-4-6-8-11/h4-8,12-14,21H,9-10H2,1-3H3/t12-,13+,14+,18+/m0/s1.
What are the key properties of (4R)-3-[(2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanoyl]-4-phenyl-1,3-oxazolidin-2-one?
(4R)-3-[(2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanoyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 367.37 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanoyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 118423801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).