3-[(2R)-2-(4-fluorophenyl)-2-phenylmethoxyacetyl]-1,3-oxazolidin-2-one

C18H16FNO4 — CID 134945067

IUPAC3-[(2R)-2-(4-fluorophenyl)-2-phenylmethoxyacetyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C(=O)[C@H](OCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C18H16FNO4/c19-15-8-6-14(7-9-15)16(17(21)20-10-11-23-18(20)22)24-12-13-4-2-1-3-5-13/h1-9,16H,10-12H2/t16-/m1/s1
InChIKeyOFEJZGISAYWKGU-MRXNPFEDSA-N
MW329.33 g/mol
LogP3.06
Rot. Bonds5

About 3-[(2R)-2-(4-fluorophenyl)-2-phenylmethoxyacetyl]-1,3-oxazolidin-2-one

3-[(2R)-2-(4-fluorophenyl)-2-phenylmethoxyacetyl]-1,3-oxazolidin-2-one (PubChem CID 134945067) has the molecular formula C18H16FNO4 and a molecular weight of 329.33 g/mol. Its IUPAC name is 3-[(2R)-2-(4-fluorophenyl)-2-phenylmethoxyacetyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(2R)-2-(4-fluorophenyl)-2-phenylmethoxyacetyl]-1,3-oxazolidin-2-one
PubChem CID134945067
Molecular FormulaC18H16FNO4
Molecular Weight329.33 g/mol
Exact Mass329.11
IUPAC Name3-[(2R)-2-(4-fluorophenyl)-2-phenylmethoxyacetyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C(=O)[C@H](OCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C18H16FNO4/c19-15-8-6-14(7-9-15)16(17(21)20-10-11-23-18(20)22)24-12-13-4-2-1-3-5-13/h1-9,16H,10-12H2/t16-/m1/s1
InChIKeyOFEJZGISAYWKGU-MRXNPFEDSA-N
XLogP3.06
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(Cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl] acetate
CID 3230480
[2-(Cyclohexylamino)-1-(3-fluorophenyl)-2-oxoethyl] acetate
CID 3230481
3-ME-5-PH Oxazolidine-2,4-dione
CID 571063
5-Ethyl-3-methyl-5-phenyl-1,3-oxazolidine-2,4-dione
CID 12488718
2-Fluorobenzyl (2-oxo-4-phenyl-1-pyrrolidinyl)acetate
CID 2943317
Benzyl 1-acetyl-2-(4-fluorobenzyl)pyrrolidine-2-carboxylate
CID 46884646
COX inhibitor, 8
CID 11021865
1-(2,6-Difluorophenyl)-2-morpholino-2-oxoethyl acetate
CID 3781514
1-(Ethoxycarbonyl)-3-methoxy-3-phenyl-2-piperidinone
CID 137301
[2-(4-Benzylpiperidin-1-yl)-2-oxoethyl] 2-fluorobenzoate
CID 2333993
(2,4-Dioxo-5-phenyl-1,3-oxazolidin-3-yl)acetic acid
CID 272750
5-(2-Fluorophenyl)oxazolidine-2,4-dione
CID 13092001

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-(4-fluorophenyl)-2-phenylmethoxyacetyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(2R)-2-(4-fluorophenyl)-2-phenylmethoxyacetyl]-1,3-oxazolidin-2-one (CID 134945067) is 3-[(2R)-2-(4-fluorophenyl)-2-phenylmethoxyacetyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(2R)-2-(4-fluorophenyl)-2-phenylmethoxyacetyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(2R)-2-(4-fluorophenyl)-2-phenylmethoxyacetyl]-1,3-oxazolidin-2-one is O=C1OCCN1C(=O)[C@H](OCc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 3-[(2R)-2-(4-fluorophenyl)-2-phenylmethoxyacetyl]-1,3-oxazolidin-2-one?
The InChIKey is OFEJZGISAYWKGU-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H16FNO4/c19-15-8-6-14(7-9-15)16(17(21)20-10-11-23-18(20)22)24-12-13-4-2-1-3-5-13/h1-9,16H,10-12H2/t16-/m1/s1.
What are the key properties of 3-[(2R)-2-(4-fluorophenyl)-2-phenylmethoxyacetyl]-1,3-oxazolidin-2-one?
3-[(2R)-2-(4-fluorophenyl)-2-phenylmethoxyacetyl]-1,3-oxazolidin-2-one has a molecular weight of 329.33 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-(4-fluorophenyl)-2-phenylmethoxyacetyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 134945067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).