benzyl 2-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetate

C18H15F2NO4 — CID 21357403

IUPACbenzyl 2-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetate
SMILESO=C(CN1C(=O)OCC1c1ccc(F)c(F)c1)OCc1ccccc1
InChIInChI=1S/C18H15F2NO4/c19-14-7-6-13(8-15(14)20)16-11-25-18(23)21(16)9-17(22)24-10-12-4-2-1-3-5-12/h1-8,16H,9-11H2
InChIKeyMVHOCLPALKWCBN-UHFFFAOYSA-N
MW347.32 g/mol
LogP3.20
Rot. Bonds5

About benzyl 2-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetate

benzyl 2-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetate (PubChem CID 21357403) has the molecular formula C18H15F2NO4 and a molecular weight of 347.32 g/mol. Its IUPAC name is benzyl 2-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetate.

Molecular Properties

Compound Namebenzyl 2-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetate
PubChem CID21357403
Molecular FormulaC18H15F2NO4
Molecular Weight347.32 g/mol
Exact Mass347.10
IUPAC Namebenzyl 2-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetate
SMILESO=C(CN1C(=O)OCC1c1ccc(F)c(F)c1)OCc1ccccc1
InChIInChI=1S/C18H15F2NO4/c19-14-7-6-13(8-15(14)20)16-11-25-18(23)21(16)9-17(22)24-10-12-4-2-1-3-5-12/h1-8,16H,9-11H2
InChIKeyMVHOCLPALKWCBN-UHFFFAOYSA-N
XLogP3.20
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.32
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

COX inhibitor, 5a
CID 12444099
1,1-Dimethylethyl (2S,3R)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate
CID 981225
tert-butyl (2R,3S)-6-oxo-2,3-diphenylmorpholine-4-carboxylate
CID 981230
Benzyl (2S,3R)-(+)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate
CID 981233
(2R,3S)-(-)-N-Z-6-oxo-2,3-diphenylmorpholine
CID 981238
Benzyl 6-oxo-2,3-diphenyl-4-morpholinecarboxylate
CID 3902786
tert-Butyl 6-oxo-2,3-diphenyl-4-morpholinecarboxylate
CID 4533742
Benzyl (2R,4R)-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate
CID 10566995
benzyl 2-((3S,4R)-2-oxo-3-((S)-2-oxo-4-phenyloxazolidin-3-yl)-4-((E)-styryl)azetidin-1-yl)acetate
CID 44428418
US9611232, Example 13
CID 73774634
US9611232, Example 15
CID 74221637
US9611232, Example 7
CID 74221639

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetate?
The IUPAC name of benzyl 2-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetate (CID 21357403) is benzyl 2-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetate.
What is the SMILES notation for benzyl 2-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetate?
The canonical SMILES for benzyl 2-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetate is O=C(CN1C(=O)OCC1c1ccc(F)c(F)c1)OCc1ccccc1.
What is the InChIKey of benzyl 2-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetate?
The InChIKey is MVHOCLPALKWCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2NO4/c19-14-7-6-13(8-15(14)20)16-11-25-18(23)21(16)9-17(22)24-10-12-4-2-1-3-5-12/h1-8,16H,9-11H2.
What are the key properties of benzyl 2-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetate?
benzyl 2-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetate has a molecular weight of 347.32 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetate is sourced from PubChem (CID 21357403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).