(4S)-3-(2-fluoroacetyl)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one

C20H20FNO3 — CID 131856627

IUPAC(4S)-3-(2-fluoroacetyl)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H]1N(C(=O)CF)C(=O)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20FNO3/c1-14(2)18-20(15-9-5-3-6-10-15,16-11-7-4-8-12-16)25-19(24)22(18)17(23)13-21/h3-12,14,18H,13H2,1-2H3/t18-/m0/s1
InChIKeyUXVJFIGGOGWNDF-SFHVURJKSA-N
MW341.38 g/mol
LogP3.90
Rot. Bonds4

About (4S)-3-(2-fluoroacetyl)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-(2-fluoroacetyl)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 131856627) has the molecular formula C20H20FNO3 and a molecular weight of 341.38 g/mol. Its IUPAC name is (4S)-3-(2-fluoroacetyl)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-(2-fluoroacetyl)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID131856627
Molecular FormulaC20H20FNO3
Molecular Weight341.38 g/mol
Exact Mass341.14
IUPAC Name(4S)-3-(2-fluoroacetyl)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H]1N(C(=O)CF)C(=O)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20FNO3/c1-14(2)18-20(15-9-5-3-6-10-15,16-11-7-4-8-12-16)25-19(24)22(18)17(23)13-21/h3-12,14,18H,13H2,1-2H3/t18-/m0/s1
InChIKeyUXVJFIGGOGWNDF-SFHVURJKSA-N
XLogP3.90
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4S)-3-(2-fluoroacetyl)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

Prodilidine
CID 19514
3-Pyrrolidinol, 1,2-dimethyl-3-phenyl-, 3-propanoate, hydrochloride (1:1)
CID 3032452
Pyrrolifene
CID 21797
1-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-phenylpyrrolidin-1-yl)ethanone
CID 44444631
1-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-(4-fluorophenyl)pyrrolidin-1-yl)ethanone
CID 44444634
1-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-(4-fluorophenyl)pyrrolidin-1-yl)propan-1-one
CID 44444637
1-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-(4-fluorophenyl)pyrrolidin-1-yl)-2-methylpropan-1-one
CID 44444638
1-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-phenylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one
CID 44444640
3-(1-Benzyl-piperidin-4-yl)-5,5-diphenyl-oxazolidin-2-one
CID 16124710
5,5-Diphenyl-1,3-oxazolidin-2-one
CID 349675
US9611232, Example 17
CID 74221638
Mlv 3076
CID 128596

Frequently Asked Questions

What is the IUPAC name of (4S)-3-(2-fluoroacetyl)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-(2-fluoroacetyl)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one (CID 131856627) is (4S)-3-(2-fluoroacetyl)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-(2-fluoroacetyl)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-(2-fluoroacetyl)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@@H]1N(C(=O)CF)C(=O)OC1(c1ccccc1)c1ccccc1.
What is the InChIKey of (4S)-3-(2-fluoroacetyl)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is UXVJFIGGOGWNDF-SFHVURJKSA-N. The full InChI is InChI=1S/C20H20FNO3/c1-14(2)18-20(15-9-5-3-6-10-15,16-11-7-4-8-12-16)25-19(24)22(18)17(23)13-21/h3-12,14,18H,13H2,1-2H3/t18-/m0/s1.
What are the key properties of (4S)-3-(2-fluoroacetyl)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-(2-fluoroacetyl)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 341.38 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(2-fluoroacetyl)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 131856627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).