3-[(2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanoyl]-5,5-diphenyl-1,3-oxazolidin-2-one

C24H26FNO6 — CID 129035308

IUPAC3-[(2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanoyl]-5,5-diphenyl-1,3-oxazolidin-2-one
SMILESCC1(C)OC[C@H]([C@@H](O)[C@@](C)(F)C(=O)N2CC(c3ccccc3)(c3ccccc3)OC2=O)O1
InChIInChI=1S/C24H26FNO6/c1-22(2)30-14-18(31-22)19(27)23(3,25)20(28)26-15-24(32-21(26)29,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18-19,27H,14-15H2,1-3H3/t18-,19-,23-/m1/s1
InChIKeyNFXNTGHWYHTFEM-DNVFCKCGSA-N
MW443.47 g/mol
LogP3.15
Rot. Bonds5

About 3-[(2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanoyl]-5,5-diphenyl-1,3-oxazolidin-2-one

3-[(2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanoyl]-5,5-diphenyl-1,3-oxazolidin-2-one (PubChem CID 129035308) has the molecular formula C24H26FNO6 and a molecular weight of 443.47 g/mol. Its IUPAC name is 3-[(2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanoyl]-5,5-diphenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanoyl]-5,5-diphenyl-1,3-oxazolidin-2-one
PubChem CID129035308
Molecular FormulaC24H26FNO6
Molecular Weight443.47 g/mol
Exact Mass443.17
IUPAC Name3-[(2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanoyl]-5,5-diphenyl-1,3-oxazolidin-2-one
SMILESCC1(C)OC[C@H]([C@@H](O)[C@@](C)(F)C(=O)N2CC(c3ccccc3)(c3ccccc3)OC2=O)O1
InChIInChI=1S/C24H26FNO6/c1-22(2)30-14-18(31-22)19(27)23(3,25)20(28)26-15-24(32-21(26)29,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18-19,27H,14-15H2,1-3H3/t18-,19-,23-/m1/s1
InChIKeyNFXNTGHWYHTFEM-DNVFCKCGSA-N
XLogP3.15
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.47
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanoyl]-5,5-diphenyl-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanoyl]-5,5-diphenyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanoyl]-5,5-diphenyl-1,3-oxazolidin-2-one (CID 129035308) is 3-[(2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanoyl]-5,5-diphenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanoyl]-5,5-diphenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanoyl]-5,5-diphenyl-1,3-oxazolidin-2-one is CC1(C)OC[C@H]([C@@H](O)[C@@](C)(F)C(=O)N2CC(c3ccccc3)(c3ccccc3)OC2=O)O1.
What is the InChIKey of 3-[(2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanoyl]-5,5-diphenyl-1,3-oxazolidin-2-one?
The InChIKey is NFXNTGHWYHTFEM-DNVFCKCGSA-N. The full InChI is InChI=1S/C24H26FNO6/c1-22(2)30-14-18(31-22)19(27)23(3,25)20(28)26-15-24(32-21(26)29,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18-19,27H,14-15H2,1-3H3/t18-,19-,23-/m1/s1.
What are the key properties of 3-[(2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanoyl]-5,5-diphenyl-1,3-oxazolidin-2-one?
3-[(2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanoyl]-5,5-diphenyl-1,3-oxazolidin-2-one has a molecular weight of 443.47 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanoyl]-5,5-diphenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 129035308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).